![C30H29FN2O7 Uridin, 5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-deoxi-2'-fluoro- (9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H29FN2O7 Uridin, 5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-deoxi-2'-fluoro- (9CI, ACI) Utvald bild](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine.jpg)
C30H29FN2O7 Uridin, 5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-deoxi-2'-fluoro- (9Cl, 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;Tryck: 760 Torr |
| pKa (förutspådd) | 9,39±0,10 | Mest sura temperatur: 25 °C |
Kanoniska 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
Isomera 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
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
InChI-nyckel
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Annat namn för detta ämne
5'-O-[bis(4-metoxifenyl)fenylmetyl]-2'-deoxi-2'-fluoruridin (ACI)
Egenskaper tillgängliga
Termisk
Termisk
| Fast egendom | Värde | Skick | Källa |
| Smältpunkt | 118-120°C | (1) CAS | |
(1) Penjarla, Srishylam;Nucleosider, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra tillgängliga
'H NMR
13C NMR
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Fast egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 3580 | pH 1;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 2;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 3;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 4;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 5;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3580 | pH 6;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3570 | pH 7;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 3430 | pH 8;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2500 | pH 9;Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 689 | pH 10;Temperatur: 25 °C | (1) ACD |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemisk
| Fast egendom | Värde | Skick | Källa |
| Koc | 12200 | pH 1;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 2;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 3;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 4;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 5;Temperatur: 25 °C | (1) ACD |
| Koc | 12200 | pH 6;Temperatur: 25 °C | (1) ACD |
| Koc | 12100 | pH 7;Temperatur: 25 °C | (1) ACD |
| Koc | 11700 | pH 8;Temperatur: 25 °C | (1) ACD |
| Koc | 8480 | pH 9;Temperatur: 25 °C | (1) ACD |
| Koc | 2340 | pH 10;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 1;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 2;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 3;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 4;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 5;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 6;Temperatur: 25 °C | (1) ACD |
| logD | 4,98 | pH 7;Temperatur: 25 °C | (1) ACD |
| logD | 4,96 | pH 8;Temperatur: 25 °C | (1) ACD |
| logD | 4,82 | pH 9;Temperatur: 25 °C | (1) ACD |
| logD | 4,26 | pH 10;Temperatur: 25 °C | (1) ACD |
| logP | 4,979±0,563 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 9,9 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 1;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 2;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 3;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 4;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 5;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 6;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 7;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 9,9 x 10-5 g/L | pH 8;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 1,4 x 10-4 g/L | pH 9;Temperatur: 25 °C | (1) ACD |
| Masslöslighet | 5,0 x 10-4 g/L | pH 10;Temperatur: 25 °C | (1) ACD |
| Fast egendom | Värde | Skick | Källa |
| Masslöslighet | 9,9 x 10-5 g/L | Obuffrat vatten pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molar inre löslighet | 1,8 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 1;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 2;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 3;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 4;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 5;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 6;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 7;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | pH 8;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 2,5 x 10-7 mol/L | pH 9;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 9,2 x 10-7 mol/L | pH 10;Temperatur: 25 °C | (1) ACD |
| Molär löslighet | 1,8 x 10-7 mol/L | Obuffrat vatten pH 7,00;Temperatur: 25 °C | (1) ACD |
| Molekylvikt | 548,56 | ||
| pKa | 9,39±0,10 | Mest sura temperatur: 25 °C | (1) ACD |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densitet
| Fast egendom | Värde | Skick | Källa |
| Densitet | 1,38±0,1 g/cm3 | Temp: 20°C;Tryck: 760 Torr | (1) ACD |
| Molar volym | 395,8±5,0 cm3/mol | Temp: 20°C;Tryck: 760 Torr | (1) ACD |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Fast egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 10 | (1) ACD | |
| H Acceptorer | 9 | (1) ACD | |
| H Donatorer | 2 | (1) ACD | |
| H Donator/Acceptor Summa | 11 | (1) ACD | |
| logP | 4,979±0,563 | Temperatur: 25 °C | (1) ACD |
| Molekylvikt | 548,56 |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturrelaterad
| Fast egendom | Värde | Skick | Källa |
| Polar yta | 107 A2 | (1) ACD | |
(1) Beräknat med hjälp av Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra tillgängliga
'H NMR
13C NMR
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