![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) Chithunzi Chowonetsedwa](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine.png)
C17H19N3O6 Thymidine, α -oxo- α -- (phenylmethyl) amino]- (ACI)
Nambala ya Registry ya CAS
944268-75-1
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 361.35 | - |
| Kachulukidwe (Zonenedweratu) | 1.459±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
| pKa (Zonenedweratu) | 8.27±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical SMILES
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
Isomeric AMAmwetulira
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 Key
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 Maina ena a chinthu ichi
α -Oxo-α - [(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 zotsatizana
Katundu zilipo
Zachilengedwe
Chemical
Kuchulukana
Lipinski
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 1.0 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Katundu Wamtengo Woyambira Gwero |
| Koc 18.3 pH 1; Kutentha: 25 °C (1) ACD |
| Koc 18.3 pH 2; Kutentha: 25 °C (1) ACD |
| Koc 18.3 pH 3; Kutentha: 25 °C (1) ACD |
| Koc 18.3 pH 4; Kutentha: 25 °C (1) ACD |
| Koc 18.3 pH 5; Kutentha: 25 °C (1) ACD |
| Koc 18.1 pH 6; Kutentha: 25 °C (1) ACD |
| Koc 16.4 pH 7; Kutentha: 25 °C (1) ACD |
| Koc 8.56 pH 8; Kutentha: 25 °C (1) ACD |
| Koc 1.62 pH 9; Kutentha: 25 °C (1) ACD |
| Koc 1.0 pH 10; Kutentha: 25 °C (1) ACD |
| logD -0.21 pH 1; Kutentha: 25 °C (1) ACD |
| logD -0.21 pH 2; Kutentha: 25 °C (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| logD | -0.21 | pH 3; Kutentha: 25 ° C | (1) ACD |
| logD | -0.21 | pH 4; Kutentha: 25 ° C | (1) ACD |
| logD | -0.21 | pH 5; Kutentha: 25 ° C | (1) ACD |
| logD | -0.22 | pH 6; Kutentha: 25 ° C | (1) ACD |
| logD | -0.26 | pH 7; Kutentha: 25 ° C | (1) ACD |
| logD | -0.54 | pH 8; Kutentha: 25 ° C | (1) ACD |
| logD | -1.26 | pH 9; Kutentha: 25 ° C | (1) ACD |
| logD | -1.95 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logP | -0.212±0.585 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.13g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.13g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.13g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.13g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.13g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.13g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.14g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.15g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.29g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 1.5g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 7.2g/l | pH 10; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.14g/L | Madzi Osasunthika pH 5.68; Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 3.7 x 10-4 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 3.8 x 10-4 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 4.2 x 10-4 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 8.0 x 10-4 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 4.2 x 10-3 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 0.020 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Molar Solubility | 3.8 x 10-4 mol / L | Madzi Osasunthika pH 5.68; Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 361.35 | ||
| pKa | 8.27±0.10 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | -1.66±0.20 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Kuchulukana | 1.459±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volume | 247.5±3.0cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Ma Bond Osinthasintha Mwaulere | 7 | (1) ACD | |
| H Olandira | 9 | (1) ACD | |
| H Opereka | 4 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 13 | (1) ACD | |
| logP | -0.212±0.585 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 361.35 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Katundu | Mtengo | Condition Source |
| Malo a Polar Surface | 128 a2 | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13 C NMR
![C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) amino]- α -oxo- (ACI)](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine-300x300.png)
