![C17H19N3O6 timidin, α -Oxo- α - [(fenilmetil) amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 timidin, α -Oxo- α - [(fenilmetil) amino] - (ACI) imaj chin an tap](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine.png)
C17H19N3O6 timidin, α -Oxo- α - [(fenilmetil) amino] - (ACI)
Nimewo rejis CAS
944268-75-1
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 361.35 | - |
| Dansite (prevwa) | 1.459 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 8.27 ± 0.10 | Pifò asid tanperati: 25 ° C |
Souri kanonyal
O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (co) c (o) c3
Souri izomèr
O = C1N ([C @@ H] 2O [C@H] (CO) [C @@ H] (O) C2) C = C (C (NCC3 = CC = CC = C3) = O) C (= O) N1
Inchi
InChI= 1S/C17H19N3O6/c21-9-13-12(22)6-14(26-13)20-8-11(16(24)19-17(20)25)15(23)18-7-10-4-2-1-3-5-10/h1-5,8,12-14,21-22H,6-7,9 H2, (H, 18,23) (H, 19,24,25)/T12-, 13+, 14+/m0/s1
Inchi kle
Vbryagcuexfmkm-bfhyxjousa-n
3 Lòt non pou sibstans sa a
α -OXO -α -[(fenilmetil) amino] timidin (ACI); (BNDU); 7: PN: WO2020081510 Seqid: 7 reklame sekans
Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Valè pwopriyete kondisyon sous |
| 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 |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | -0.21 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -0.21 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -0.21 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -0.22 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -0.26 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.54 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -1.26 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -1.95 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | -0.212 ± 0.585 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 0.13 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.13 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.13 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.13 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.13 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.13 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.14 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.15 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.29 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.5 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.2 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.14 g/l | PH dlo unbuffered 5.68; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 3.7 x 10-4 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.7 x 10-4 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.7 x 10-4 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.7 x 10-4 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.7 x 10-4 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.7 x 10-4 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.8 x 10-4 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.2 x 10-4 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 8.0 x 10-4 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.2 x 10-3 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.020 mol/L | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 3.8 x 10-4 mol/l | PH dlo unbuffered 5.68; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 361.35 | ||
| pka | 8.27 ± 0.10 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | -1.66 ± 0.20 | Pifò debaz tanperati: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.459 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 247.5 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 7 | (1) ACD | |
| H akseptab | 9 | (1) ACD | |
| H donatè | 4 | (1) ACD | |
| H donatè/aksepte sòm | 13 | (1) ACD | |
| logp | -0.212 ± 0.585 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 361.35 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
| Posesyon | Valè | Sous kondisyon |
| Zòn sifas polè | 128 A2 | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1 H NMR
13 C NMR
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