![C30H29FN2O7 Uridin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-dezoksi-2′-fluoro- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H29FN2O7 Uridin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-dezoksi-2′-fluoro- (9CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 548.56 | - |
| Pwen Fizyon (Eksperimantal) | 118-120 °C | - |
| Dansite (Prevwa) | 1.38±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 9.39±0.10 | Tanperati ki pi asid: 25 °C |
SMILES Kanonik 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
SMILES izomerik 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
InChI
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
Kle InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Lòt Non pou Sibstans sa a
5′-O-[Bis(4-metoksifenil)fenilmetil]-2′-dezoksi-2′-fluorouridin (ACI)
Pwopriyete ki disponib
Tèmik
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen fizyon | 118-120 °C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleozid, Nukleotid ak Asid Nikleyik, (2018), 37(4), 232-247, CAplus
Espèk disponib
1H RMN
13C RMN
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 3580 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3580 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3580 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3580 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3580 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3580 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3570 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 3430 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 2500 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 689 | pH 10; Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 12200 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 12200 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 12200 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 12200 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 12200 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 12200 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 12100 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 11700 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 8480 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 2340 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 4.98 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 4.96 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 4.82 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 4.26 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 4.979±0.563 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 9.9 x 10-5 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 9.9 x 10-5 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.4 x 10-4 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.0 x 10-4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Mas | 9.9 x 10-5 g/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 1.8 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.5 x 10-7 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 9.2 x 10-7 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.8 x 10-7 mol/L | Dlo san tampon pH 7.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 548.56 | ||
| pKa | 9.39±0.10 | Tanperati ki pi asid: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.38±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 395.8±5.0 cm3/mol | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 10 | (1) ACD | |
| Akseptè H | 9 | (1) ACD | |
| Donatè H | 2 | (1) ACD | |
| Sòm Donè/Akseptè H | 11 | (1) ACD | |
| logP | 4.979±0.563 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 548.56 |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Sifas polè | 107 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Espèk disponib
1H RMN
13C RMN
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