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C31H32N2O8 Uridin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-metil- (9C I, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 560.60 | - |
| Dansite (Prevwa) | 1.35±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)C2OC
SMILES izomerik C(OC[C@H]1O[C@H]([C@H](OC)[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
NanChI=1S/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38-2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27-,28-,29-/m1/s1
Kle InChI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Lòt Non pou Sibstans sa a
5′-O-[Bis(4-metoksifenil)fenilmetil]-2′-O-metiluridin (ACI); 5′-O-(4,4′-Dimetoksitritil)-2′-O-metiluridin
Espèk disponib
1H RMN
Mès
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1240 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1240 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1240 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1240 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1240 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1240 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1230 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1190 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 861 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 238 | 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 | 5690 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 5690 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 5690 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 5690 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 5690 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 5690 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 5670 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 5450 | pH 8; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 3960 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 1100 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 4.37 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 4.35 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 4.21 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 4.372±0.582 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 3.7 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.8 x 10-4 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.3 x 10-4 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 1.9 x 10-3 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 3.7 x 10-4 g/L | Dlo san tampon pH 6.99; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 6.6 x 10-7 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Molè | 6.6 x 10-7 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.8 x 10-7 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 9.4 x 10-7 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 3.4 x 10-6 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.6 x 10-7 mol/L | Dlo san tampon pH 6.99; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 560.60 | ||
| 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 | 1.35±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 412.9±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 | 11 | (1) ACD | |
| Akseptè H | 10 | (1) ACD | |
| Donatè H | 2 | (1) ACD | |
| Sòm Donè/Akseptè H | 12 | (1) ACD | |
| logP | 4.372±0.582 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 560.60 |
(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 | 116 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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