![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl- (9CI, ACI)
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 601.65 | - |
| Dichtheid (foarsein) | 1,28 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 10.19±0.20 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2OC)NC(=O)C
Isomere SMILES C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
YnChI
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30( 42-4)29(38)27(44-31)20-43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17-13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,1/s
InChI-kaai
FINUHOJILDNELQ-PMFUCWTESA-N
1 Oare namme foar dizze stof
N-Acetyl-5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metylcytidine (ACI)
| Beskikbere eigenskippen |
| Biologysk |
| Gemysk |
| Dichtheid |
| Lipinski |
| Struktuer relatearre |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 8.87 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 27.8 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 171 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 515 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 650 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 668 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 668 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 657 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 560 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 229 | 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 | 48.6 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 152 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 935 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 2820 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 3560 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 3660 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 3660 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 3600 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 3070 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 1250 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | 3.43 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 3.91 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 3.94 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 4.021±0.768 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 1,3 x 10-3 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,10 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,032 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,2 x 10-3 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,7 x 10-3 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-3 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,3 x 10-3 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,3 x 10-3 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,3 x 10-3 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,6 x 10-3 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,9 x 10-3 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,3 x 10-3 g/L | Unbufferd wetter pH 6.99; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 2,2 x 10-6 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,7 x 10-4 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,3 x 10-5 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 8,6 x 10-6 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,9 x 10-6 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,3 x 10-6 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,2 x 10-6 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,2 x 10-6 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,2 x 10-6 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,6 x 10-6 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 6,4 x 10-6 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 2,2 x 10-6 mol/L | Unbufferd wetter pH 6.99; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 601.65 | ||
| pKa | 10.19±0.20 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,57±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 | 1,28 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 466,5 ± 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 | 11 | (1) ACD | |
| H-akseptors | 11 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 13 | (1) ACD | |
| logP | 4.021±0.768 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 601.65 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 128 A2 | (1) ACD | |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
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