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C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) amino] - α-oxo- (ACI)
Lambar Rijistar CAS
1262015-90-6
| Mabuɗin Abubuwan Jiki | Daraja | Sharadi |
| Nauyin Kwayoyin Halitta | 411.41 | - |
| Girma (An annabta) | 1.460± 0.06 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr |
| pKa (An annabta) | 8.23± 0.10 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na Canonical
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
MURMUSHI
O=C1N(C=C(C(NCC=2C3=C(C=CC2)C=CC=C3=O)C(=O)N1)[C@@H]4O[C@H](CO) [C@@H] (O) C4
InChi
InChi= 1S/C21H21N3O6/c25-11-17-16(26)8-18(30-17)24-10-15(20(28)23-21(24)29)19(27)22-9- 13-6-3-5-12-4-1-2-7-14(12)13/h1- 7,10,16-18,25-26H,8-9,11H2,(H,22,27 (H,23,28,29)/t16-,17+,18+/m0/s1
InChi Key
UDHOSZAWIHGTB-RCCFBDPRSA-N
3 Wasu Sunaye na wannan Abu
α - [(1-Naphthalenylmethyl)amino] - α -oxothymidine (ACI);(NapdU);87: PN: WO2020081510 SEQID: 87 da'awar jeri
Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
| Dukiya | Daraja | Sharadi | Source |
| Factor na Bioconcentration | 3.23 | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 3.23 | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 3.23 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 3.23 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 3.23 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 3.19 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 2.85 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Factor na Bioconcentration | 1.40 | 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 80.5 pH 1;Zazzabi: 25 ° C (1) ACD |
| Koc 80.5 pH 2;Zazzabi: 25 ° C (1) ACD |
| Koc 80.5 pH 3;Zazzabi: 25 ° C (1) ACD |
| Koc 80.5 pH 4;Zazzabi: 25 ° C (1) ACD |
| Koc 80.4 pH 5;Zazzabi: 25 ° C (1) ACD |
| Koc 79.5 pH 6;Zazzabi: 25 ° C (1) ACD |
| Koc 71.1 pH 7;Zazzabi: 25 ° C (1) ACD |
| Koc 34.9 pH 8;Zazzabi: 25 ° C (1) ACD |
| Koc 6.35 pH 9;Zazzabi: 25 ° C (1) ACD |
| Koc 1.39 pH 10;Zazzabi: 25 ° C (1) ACD |
| logD 0.97 pH 1;Zazzabi: 25 °C (1) ACD |
| logD 0.97 pH 2;Zazzabi: 25 ° C (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| logD | 0.97 | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.97 | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.97 | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.97 | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.92 | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| logD | 0.61 | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| logD | -0.13 | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| logD | -0.79 | pH 10;Zazzabi: 25 ° C | (1) ACD |
| logP | 0.973± 0.586 | Zazzabi: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 5.3 x 10-3 g/L | Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.8 x 10-3 g/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.012 g/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.066 g/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 0.30 g/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
| Mass Solubility | 5.3 x 10-3 g/L | Ruwan da ba a buƙata ba pH 6.37;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Ciki na Molar | 1.3 x 10-5 mol/L | Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-5 mol/L | pH da 1;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-5 mol/L | pH da 2;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-5 mol/L | pH da 3;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-5 mol/L | pH da 4;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-5 mol/L | pH da 5;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.3 x 10-5 mol/L | pH da 6;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.4 x 10-5 mol/L | pH da 7;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 2.9 x 10-5 mol/L | pH da 8;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 1.6 x 10-4 mol/L | pH da 9;Zazzabi: 25 ° C | (1) ACD |
| Solubility na Molar | 7.4 x 10-4 mol/L | pH 10;Zazzabi: 25 ° C | (1) ACD |
| Dukiya | Daraja | Sharadi | Source |
| Solubility na Molar | 1.3 x 10-5 mol/L | Ruwan da ba a buƙata ba pH 6.37;Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 411.41 | ||
| pKa | 8.23± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
| pKa | -1.90±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 | 1.460± 0.06 g/cm3 | Zazzabi: 20 ° C;Latsa: 760 Torr | (1) ACD |
| Ƙarar Molar | 281.6± 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 | 0.973± 0.586 | Zazzabi: 25 ° C | (1) ACD |
| Nauyin Kwayoyin Halitta | 411.41 |
(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
![C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl)amino] - (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)