![C30H29FN2O7 uridin, 5'-o-[bis (4-metoxifenyl) fenylmetyl] -2'-deoxi-2′- fluoro- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7-uridin, 5'-O-O-[Bis (4-metoxifenyl) fenylmetyl] -2'-deoxi-2′- Fluoro- (9ci, ACI) presenterade bild](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 uridin, 5'-o-[bis (4-metoxifenyl) fenylmetyl] -2'-deoxi-2′- fluoro- (9ci, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 548.56 | - |
| Smältpunkt (experimentell) | 118-120 ° C | - |
| Densitet (förutspådd) | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 9.39 ± 0,10 | Mest sura temp: 25 ° C |
Kanoniska leenden 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
Isomeric 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
Tum
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 -nyckel
Cssfzsszxoccjb-yuloidqlsa-n
1 annat namn för detta ämne
5'-O- [BIS (4-metoxifenyl) fenylmetyl] -2'-deoxi-2'-fluorouridin (ACI)
Egenskaper tillgängliga
Termisk
Termisk
| Egendom | Värde | Skick | Källa |
| Smältpunkt | 118-120 ° C | (1) CAS | |
(1) Penjarla, Srishylam; Nukleosider, nukleotider och nukleinsyror, (2018), 37 (4), 232-247, caplus
Spektra tillgängligt
1H NMR
13C NMR
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 3580 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3570 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 3430 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 2500 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 689 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 12200 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 12200 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 12100 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 11700 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 8480 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 2340 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.98 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.96 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.82 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.26 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | 4.979 ± 0,563 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 9,9 x 10-5 g/L | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,4 x 10-4 g/l | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 5,0 x 10-4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Masslöslighet | 9,9 x 10-5 g/L | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,8 x 10-7 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,5 x 10-7 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 9,2 x 10-7 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,8 x 10-7 mol/l | Obufferat vatten pH 7,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 548.56 | ||
| pka | 9.39 ± 0,10 | Mest sura temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,38 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 395,8 ± 5,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 10 | (1) ACD | |
| H acceptorer | 9 | (1) ACD | |
| H givare | 2 | (1) ACD | |
| H givare/acceptor summa | 11 | (1) ACD | |
| inloggning | 4.979 ± 0,563 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 548.56 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 107 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
13C NMR
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