![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksytyl)-5-metyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksytyl)-5-metyl- (9CI, ACI) H335, H319, H315 Ofbylding mei útsûndering](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksytyl)-5-metyl- (9CI, ACI) H335, H319, H315
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 721.80 | - |
| Smeltpunt (eksperiminteel) | 107-110 °C | - |
| Dichtheid (foarsein) | 1,26 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 8.60±0.40 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OCCOC)C
Isomere SMILES
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
YnChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11 -7-5-8-12-28)39-36(51-24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI-kaai
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Oare nammen foar dizze stof
N-Benzoyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-(2-metoksytyl)-5-metylcytidine (ACI); 10: PN: WO03084478 SIDE: 57 opeaske RNA; 12: PN: US20030170636 SIDE: 17 opeaske R NA; 13: PN: US20030212017 SIDE: 19 opeaske R NA; 14: PN: US20030
211606 SIDE: 19 opeaske R NA; 15: PN: US20040005569 SIDE: 22 opeaske R NA; 16: PN: US20040006030 SIDE: 22 opeaske R NA; 16: PN: US20040014048 SIDE: 20 opeaske R NA; 17: PN: US20030171313 SIDE: 9 opeaske R NA; 17: PN: US20040005565 SIDE: 17- 22 opeaske RNA; 17: PN: US20040005570 SIDE: 20 opeaske R NA; 17: PN: US20040014047 SIDE: 20 opeaske R NA; 17: PN: US20040 014050 SIDE: 20 opeaske R NA; 18: PN: US20030198965 SIDE: 19 opeaske R NA; 18: PN: US20040014699 SIDE: 20 opeaske R NA; 19: PN: US20040006029 SIDE: 23 opeaske R NA; 19: PN: WO03106645 SIDE: 71 opeaske R NA; 59: PN: US20030166592 SIDE: 15 opeaske RNA; 6: PN: WO2005006958 SIDE: 62 opeaske R NA; 83: PN: US20040171566 SIDE: 18 opeaske R NA; 8: PN: WO2005007825
SIDE: 62 opeaske R NA; 90: PN: US20040005707 SIDE: 20 opeaske R NA; N4-Benzoyl-2′-O-metoksyethyl-5′-O-dimetoksytrityl-5-
methylcytidine
| Beskikbere eigenskippen |
| Termysk |
Termysk
| Besit | Wearde | Betingst | Boarne |
| Smeltpunt | 107-110 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleosiden, Nukleotiden & Nukleïnezuren, (2018), 37(4), 232-247, CAplus
Spektra beskikber
1H NMR
13C NMR
| Beskikbere eigenskippen |
| Biologysk |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 291 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 644 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3690 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 15600 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 23700 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 24800 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 23300 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 14100 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3010 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 558 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| Koc | 569 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 1260 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 7210 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 30400 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 46300 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 48500 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 45500 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 27500 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 5890 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 1090 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 6.093±0.720 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 1,3 x 10-4 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,011 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,0 x 10-3 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,7 x 10-4 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,1 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 1,4 x 10-4 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,3 x 10-4 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,3 x 10-4 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-3 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-3 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g/L | Unbufferd wetter pH 6.97; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,8 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,5 x 10-5 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 6,9 x 10-6 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,2 x 10-6 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,9 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,9 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,2 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,5 x 10-6 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 8,0 x 10-6 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,9 x 10-7 mol/L | Unbufferd wetter pH 6.97; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 721.80 | ||
| pKa | 8.60±0.40 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichtheid
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 1,26 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 572,5 ± 7,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 15 | (1) ACD | |
| Besit | Wearde | Betingst | Boarne |
| H-akseptors | 12 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 14 | (1) ACD | |
| logP | 6.093±0.720 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 721.80 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 137 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H335 | Kin yrritaasje fan 'e luchtwegen feroarsaakje | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
| H319 | Veroarsaket slimme eachirritaasje | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
| H315 | Feroarsaket hûdirritaasje | Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Ynventaris Klassifikaasje en Etikettering fan it Europeesk Gemysk Agintskip (ECHA) - Notifisearre klassifikaasje en etikettering - meast serieuze notifikaasjes |
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