![C30H29FN2O7 Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H29FN2O7 Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluoro- (9CI, ACI)
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 548.56 | - |
| Smeltpunt (eksperiminteel) | 118-120 °C | - |
| Dichtheid (foarsein) | 1,38 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 9.39±0.10 | Soerste temperatuer: 25 °C |
Kanonike SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2F
Isomere SMILES C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
YnChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7 -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26-,27-,28-/m1/s1
InChI-kaai
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Oare namme foar dizze stof
5′-O-[Bis(4-metoksyfenyl)fenylmetyl]-2′-deoksy-2′-fluorouridine (ACI)
Beskikbere eigenskippen
Termysk
Termysk
| Besit | Wearde | Betingst | Boarne |
| Smeltpunt | 118-120 °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 | 3580 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3580 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3580 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3580 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3580 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3580 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3570 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 3430 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2500 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 689 | 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 | 12200 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 12200 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 12200 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 12200 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 12200 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 12200 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 12100 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 11700 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 8480 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 2340 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 4.98 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 4.96 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 4.82 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 4.26 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 9,9 x 10-5 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 9,9 x 10-5 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,4 x 10-4 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 5,0 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 9,9 x 10-5 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,8 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 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 | 1,8 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,5 x 10-7 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 9,2 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,8 x 10-7 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 548.56 | ||
| pKa | 9.39±0.10 | Soerste temperatuer: 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 | 1,38 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 395,8 ± 5,0 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 | 10 | (1) ACD | |
| H-akseptors | 9 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 11 | (1) ACD | |
| logP | 4.979±0.563 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 548.56 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Poaloerflak | 107 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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