![C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino] - (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino] - (ACI)
Lambar Rijistar CAS
944268-75-1
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 361.35 | - |
| Girma (An annabta) | 1.459± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr |
| pKa (An annabta) | 8.27± 0.10 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
MURMUSHI
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(NCC3=CC=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 Wasu Sunaye na wannan Abu
α -Oxo-α -[(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 da'awar jeri
Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 1.0 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.0 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Tushen Halin Ƙimar Dukiya |
| koc 18.3 pH 1; Zazzabi: 25 °C (1) ACD |
| Koc 18.3 pH 2; Zazzabi: 25 °C (1) ACD |
| Koc 18.3 pH 3; Zazzabi: 25 °C (1) ACD |
| Koc 18.3 pH 4; Zazzabi: 25 °C (1) ACD |
| Koc 18.3 pH 5; Zazzabi: 25 °C (1) ACD |
| Koc 18.1 pH 6; Zazzabi: 25 °C (1) ACD |
| Koc 16.4 pH 7; Zazzabi: 25 °C (1) ACD |
| Koc 8.56 pH 8; Zazzabi: 25 °C (1) ACD |
| Koc 1.62 pH 9; Zazzabi: 25 °C (1) ACD |
| koc 1.0 pH 10; Zazzabi: 25 ° C (1) ACD |
| logD -0.21 pH 1; Zazzabi: 25 °C (1) ACD |
| logD -0.21 pH 2; Zazzabi: 25 °C (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| logD | -0.21 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.21 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.21 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.22 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.26 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| logD | -0.54 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| logD | -1.26 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| logD | -1.95 | pH 10; Zazzabi: 25 ° C | (1) ACD |
| logP | -0.212± 0.585 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.13 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.14 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.15 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.29 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 7.2 g/l | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.14 g/L | Ruwan da ba a buƙata ba pH 5.68; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 3.7 x 10-4 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.7 x 10-4 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.7 x 10-4 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.7 x 10-4 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.7 x 10-4 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.7 x 10-4 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 3.8 x 10-4 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.2 x 10-4 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 8.0 x 10-4 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 4.2 x 10-3 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 0.020 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 3.8 x 10-4 mol/L | Ruwan da ba a buƙata ba pH 5.68; Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 361.35 | ||
| pKa | 8.27± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -1.66±0.20 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Dukiya | Daraja | Sharadi | Source |
| Yawan yawa | 1.459± 0.06 g/cm3 | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 247.5± 3.0 cm3/mol | Zazzabi: 20 ° C; Latsa: 760 Torr | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Dukiya | Daraja | Sharadi | Source |
| Ƙimar Rarraba Kyauta | 7 | (1) ACD | |
| H Masu karɓa | 9 | (1) ACD | |
| H Masu Ba da taimako | 4 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| logP | -0.212± 0.585 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 361.35 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Dukiya | Daraja | Tushen yanayi |
| Wuri Mai Girma | 128 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR
![C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) amino] - α-oxo- (ACI)](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine-300x300.png)
