![C34H39N3O8 Sitidin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-(2-metoksietil)-5-metil- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 Sitidin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-(2-metoksietil)-5-metil- (9CI, ACI) Imaj Anons Spesyal](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Sitidin, 5′-O-[bis(4-metoksifenil)fenilmetil]-2′-O-(2-metoksietil)-5-metil- (9CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 617.69 | - |
| Pwen Ebulisyon (Prevwa) | 762.6±70.0 °C | Près: 760 Torr |
| Dansite (Prevwa) | 1.27±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr |
| pKa (Predi) | 13.31±0.70 | Tanperati ki pi asid: 25 °C |
SOURI Kanonik O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2OCCOC)C
SMILES izomerik C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19 -18-40-2)29(38)28(45-32)21-44-34(23-8-6-5-7-9-23,24-10-14-26(4) 1-3)15-11-24)25-12-16-27(42-4)17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39),/t2,35,36,39),/t28,-/m
Kle InChI
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Lòt Non pou Sibstans sa a
5′-O-[Bis(4-metoksifenil)fenilmetil]-2′-O-(2-metoksietil)-5-metilsitid (ACI); 11: PN: US20030170636 PAJ: 17 ARN reklame; 12: PN: US20030211606 PAJ: 18 R reklame NA; 12: PN: US20030212017 PAJ: 19 R reklame NA; 14: PN: US20040005569 PAJ E: 21 R reklame NA; 15: PN: US20040005565 PAJ: 17- 22 ARN reklame; 15: PN: US20040005570 PAJ: 19 R reklame NA; 15: PN: U S20040006030 PAJ: 22 R reklame NA; 15: PN: US20040014048 PAJ: 19 reklame R NA; 16: PN: US20030171313 PAJ: 9 reklame RNA; 16: PN: US20030198965 PAJ: 19 reklame R NA; 16: PN: US20040014047 PAJ: 19 reklame R NA; 16: PN: US20040014049 PAJ:
19 ARN reklame; 17: PN: US20040014051 PAJ: 21 R NA reklame; 17: PN: US20040014699 PAJ: 19 R NA reklame; 17: PN: W
O03106645 PAJ: 69 reklame R NA; 18: PN: US20040006029 PAJ: 22 reklame R NA; 2′-O-Metoksietil-5′-O-dimetoksitritil-5- metilsitid; 58: PN: US20030166592 PAJ: 15 reklame R NA; 5: PN: WO2005006958 PAJ: 61 reklame R NA; 7: PN: WO20050 07825 PAJ: 61 reklame R NA; 82: PN: US20040171566 PAJ: 18 reklame R NA; 89: PN: US20040005707 PAJ: 19 reklame R NA; 9: PN: WO03084478 PAJ: 56 reklame R NA
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.56 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.99 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 6.19 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 38.0 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 116 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 146 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 150 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 151 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 151 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 151 | 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 | 13.0 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 16.6 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 51.8 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 318 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 966 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 1220 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 1260 | pH 7; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 1260 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 1260 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 1260 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | 1.18 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | 1.29 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | 1.78 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | 2.57 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | 3.05 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | 3.16 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | 3.17 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | 3.17 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | 3.17 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | 3.17 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | 3.169±0.598 | Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque nan mas | 5.2 x 10-3 g/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.51 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.40 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.13 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 0.020 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 6.8 x 10-3 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.4 x 10-3 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.3 x 10-3 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.2 x 10-3 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.2 x 10-3 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.2 x 10-3 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Mas | 5.3 x 10-3 g/L | Dlo san tampon pH 7.05; Tanperati: 25 °C | (1) ACD |
| Soliblite intrinsèque molè | 8.4 x 10-6 mol/L | Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.2 x 10-4 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 6.4 x 10-4 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 2.1 x 10-4 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 3.3 x 10-5 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 1.1 x 10-5 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Soliblite Molè | 8.7 x 10-6 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.5 x 10-6 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.4 x 10-6 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.4 x 10-6 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.4 x 10-6 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Soliblite Molè | 8.5 x 10-6 mol/L | Dlo san tampon pH 7.05; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 617.69 | ||
| pKa | 13.31±0.70 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 4.58±0.10 | Tanperati debaz ki pi wo a: 25 °C | (1) ACD |
| Presyon vapè | 1.89 x 10-24 Torr | Tanperati: 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 | 1.27±0.1 g/cm3 | Tanperati: 20 °C; Près: 760 Torr | (1) ACD |
| Volim Molè | 483.8±7.0 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 | 14 | (1) ACD | |
| Akseptè H | 11 | (1) ACD | |
| Donatè H | 3 | (1) ACD | |
| Sòm Donè/Akseptè H | 14 | (1) ACD | |
| logP | 3.169±0.598 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 617.69 |
(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 | 134 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen ebulisyon | 762.6±70.0 °C | Près: 760 Torr | (1) ACD |
| Antalpi Vaporizasyon | 116.53±3.0 kJ/mol | Près: 760 Torr | (1) ACD |
| Pwen Eklatman | 415.0±35.7 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
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