![C17H19N3O6 tymidin, a -oxo -a - [(fenylmetyl) amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 tymidin, a -oxo -a - [(fenylmetyl) amino] - (ACI) presenterade bild](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine.png)
C17H19N3O6 tymidin, a -oxo -a - [(fenylmetyl) amino] - (ACI)
Cas registernummer
944268-75-1
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 361.35 | - |
| Densitet (förutspådd) | 1,459 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 8.27 ± 0,10 | Mest sura temp: 25 ° C |
Kanoniska leenden
O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (co) c (o) c3
Isomer leenden
O = c1n ([c @@ h] 2o [c@h] (co) [c @@ h] (o) c2) c = c (c (ncc3 = cc = cc = c3) = o) c (= o) n1 n1
Tum
Inchi = 1S/C17H19N3O6/C21-9-13-12 (22) 6-14 (26-13) 20-8-11 (16 (24) 19-17 (20) 25) 15 (23) 18-7-10-4-1-3-3-5-10/h1-5,8,12-14,21-22h, 6-7,9 H2, (H, 18,23) (H, 19,24,25)/T12-, 13+, 14+/m0/S1
Inchi -nyckel
Vbryagcuexfmkm-bfhyxjousa-n
3 andra namn för detta ämne
a -oxo -a -[(fenylmetyl) amino] tymidin (ACI); (BNDU); 7: PN: WO2020081510 SEQID: 7 Påstådd sekvens
Egenskaper tillgängliga
Biologisk
Kemisk
Densitet
Lipinski
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Fastighetsvärde Källa källa |
| KOC 18,3 pH 1; Temp: 25 ° C (1) ACD |
| KOC 18,3 pH 2; Temp: 25 ° C (1) ACD |
| KOC 18,3 pH 3; Temp: 25 ° C (1) ACD |
| KOC 18,3 pH 4; Temp: 25 ° C (1) ACD |
| KOC 18,3 pH 5; Temp: 25 ° C (1) ACD |
| Koc 18.1 pH 6; Temp: 25 ° C (1) ACD |
| Koc 16.4 pH 7; Temp: 25 ° C (1) ACD |
| KOC 8.56 pH 8; Temp: 25 ° C (1) ACD |
| KOC 1,62 pH 9; Temp: 25 ° C (1) ACD |
| KOC 1,0 pH 10; Temp: 25 ° C (1) ACD |
| logd -0.21 pH 1; Temp: 25 ° C (1) ACD |
| logd -0.21 pH 2; Temp: 25 ° C (1) ACD |
| Egendom | Värde | Skick | Källa |
| logd | -0.21 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.21 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.21 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.22 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.26 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.54 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | -1.26 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.95 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | -0.212 ± 0,585 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 0,13 g/L | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,13 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,13 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,13 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,13 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,13 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,14 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,15 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,29 g/L | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 1,5 g/L | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 7.2 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,14 g/L | Obuffrat vatten pH 5,68; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 3,7 x 10-4 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,7 x 10-4 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,7 x 10-4 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,7 x 10-4 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,7 x 10-4 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,7 x 10-4 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 3,8 x 10-4 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,2 x 10-4 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 8,0 x 10-4 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 4,2 x 10-3 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,020 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 3,8 x 10-4 mol/l | Obuffrat vatten pH 5,68; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 361.35 | ||
| pka | 8.27 ± 0,10 | Mest sura temp: 25 ° C | (1) ACD |
| pka | -1,66 ± 0,20 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Skick | Källa |
| Densitet | 1,459 ± 0,06 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 247,5 ± 3,0 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)
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 7 | (1) ACD | |
| H acceptorer | 9 | (1) ACD | |
| H givare | 4 | (1) ACD | |
| H givare/acceptor summa | 13 | (1) ACD | |
| inloggning | -0.212 ± 0,585 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 361.35 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
| Egendom | Värde | Konditionskälla |
| Polär yta | 128 A2 | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1 H NMR
13 C NMR
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