![C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI) Ishusho Yerekanwe](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine.png)
C17H19N3O6 Thymidine, α -oxo- α - [(phenylmethyl) amino] - (ACI)
Numero ya CAS
944268-75-1
| Ibyingenzi Byumubiri | Agaciro | Imiterere |
| Uburemere bwa molekile | 361.35 | - |
| Ubucucike (Biteganijwe) | 1.459 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C;Kanda: 760 Torr |
| pKa (Byahanuwe) | 8.27 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. |
Urwenya rwa Canonical
O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC = CC2) C3OC (CO) C (O) C3
Isomeric SMILES
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 Urufunguzo
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 Andi mazina kuriyi ngingo
α -Oxo-α - [(phenylmethyl) amino] thymidine (ACI);(BndU);7: PN: WO2020081510 SEQID: 7 isaba urukurikirane
Ibyiza birahari
Ibinyabuzima
Imiti
Ubucucike
Lipinski
Imiterere ijyanye
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ikintu cya Bioconcentration | 1.0 | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Ikintu cya Bioconcentration | 1.0 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
.
| Agaciro Agaciro Imiterere Inkomoko |
| Koc 18.3 pH 1;Ubushyuhe: 25 ° C (1) ACD |
| Koc 18.3 pH 2;Ubushyuhe: 25 ° C (1) ACD |
| Koc 18.3 pH 3;Ubushyuhe: 25 ° C (1) ACD |
| Koc 18.3 pH 4;Ubushyuhe: 25 ° C (1) ACD |
| Koc 18.3 pH 5;Ubushyuhe: 25 ° C (1) ACD |
| Koc 18.1 pH 6;Ubushyuhe: 25 ° C (1) ACD |
| Koc 16.4 pH 7;Ubushyuhe: 25 ° C (1) ACD |
| Koc 8.56 pH 8;Ubushyuhe: 25 ° C (1) ACD |
| Koc 1.62 pH 9;Ubushyuhe: 25 ° C (1) ACD |
| Koc 1.0 pH 10;Ubushyuhe: 25 ° C (1) ACD |
| logD -0.21 pH 1;Ubushyuhe: 25 ° C (1) ACD |
| logD -0.21 pH 2;Ubushyuhe: 25 ° C (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| logD | -0.21 | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.21 | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.21 | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.22 | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.26 | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -0.54 | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -1.26 | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| logD | -1.95 | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| logP | -0.212 ± 0.585 | Ubushyuhe: 25 ° C. | (1) ACD |
| Mass Massins Solubility | 0.13 g / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.13 g / L. | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.13 g / L. | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.13 g / L. | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.13 g / L. | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.13 g / L. | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.14 g / L. | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0,15 g / L. | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.29 g / L. | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 1.5 g / L. | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 7.2 g / L. | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| Gukemura ibibazo | 0.14 g / L. | Amazi adafite ingufu pH 5.68;Ubushyuhe: 25 ° C. | (1) ACD |
| Molar Intrinsic Solubility | 3.7 x 10-4 mol / L. | Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.7 x 10-4 mol / L. | pH 1;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.7 x 10-4 mol / L. | pH 2;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.7 x 10-4 mol / L. | pH 3;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.7 x 10-4 mol / L. | pH 4;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.7 x 10-4 mol / L. | pH 5;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 3.8 x 10-4 mol / L. | pH 6;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.2 x 10-4 mol / L. | pH 7;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 8.0 x 10-4 mol / L. | pH 8;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 4.2 x 10-3 mol / L. | pH 9;Ubushyuhe: 25 ° C. | (1) ACD |
| Amashanyarazi | 0.020 mol / L. | pH 10;Ubushyuhe: 25 ° C. | (1) ACD |
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Amashanyarazi | 3.8 x 10-4 mol / L. | Amazi adafite ingufu pH 5.68;Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 361.35 | ||
| pKa | 8.27 ± 0.10 | Ubushyuhe bwinshi bwa Acide: 25 ° C. | (1) ACD |
| pKa | -1.66 ± 0.20 | Ubushyuhe bwibanze: 25 ° C. | (1) ACD |
.
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Ubucucike | 1.459 ± 0.06 g / cm3 | Ubushyuhe: 20 ° C;Kanda: 760 Torr | (1) ACD |
| Umubumbe wa Molar | 247.5 ± 3.0 cm3 / mol | Ubushyuhe: 20 ° C;Kanda: 760 Torr | (1) ACD |
.
| Umutungo | Agaciro | Imiterere | Inkomoko |
| Impapuro zishobora guhinduka | 7 | (1) ACD | |
| H Abakira | 9 | (1) ACD | |
| H Abaterankunga | 4 | (1) ACD | |
| H Abaterankunga / Abemera Sum | 13 | (1) ACD | |
| logP | -0.212 ± 0.585 | Ubushyuhe: 25 ° C. | (1) ACD |
| Uburemere bwa molekile | 361.35 |
.
| Umutungo | Agaciro | Inkomoko |
| Ubuso bwa polarike | 128 A2 | (1) ACD |
.
Spectra irahari
1 H NMR
13 C NMR
Andika ubutumwa bwawe hano hanyuma utwohereze
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