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C17H19N3O6 Thymidine, α-oxo- α -[(phenylmethyl)amino]- (ACI)
Lambarka Diiwaanka CAS
944268-75-1
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 361.35 | - |
| Cufnaanta (La saadaaliyay) | 1.459±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 8.27±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
Dhoola-caddeyn
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=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
Furaha InChi
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 Magacyo kale oo Walaxdan ah
α -Oxo-α -[(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 isku xigta
Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 1.0 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.0 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Isha Xaaladda Qiimaha Hantida |
| Koc 18.3 pH 1; Heerkulka: 25 °C (1) ACD |
| Koc 18.3 pH 2; Heerkulka: 25 °C (1) ACD |
| Koc 18.3 pH 3; Heerkulka: 25 °C (1) ACD |
| Koc 18.3 pH 4; Heerkulka: 25 °C (1) ACD |
| Koc 18.3 pH 5; Heerkulka: 25 °C (1) ACD |
| Koc 18.1 pH 6; Heerkulka: 25 °C (1) ACD |
| Koc 16.4 pH 7; Heerkulka: 25 °C (1) ACD |
| Koc 8.56 pH 8; Heerkulka: 25 °C (1) ACD |
| Koc 1.62 pH 9; Heerkulka: 25 °C (1) ACD |
| Koc 1.0 pH 10; Heerkulka: 25 °C (1) ACD |
| logD -0.21 pH 1; Heerkulka: 25 °C (1) ACD |
| logD -0.21 pH 2; Heerkulka: 25 °C (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | -0.21 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | -0.21 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | -0.21 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | -0.22 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | -0.26 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | -0.54 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | -1.26 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | -1.95 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | -0.212± 0.585 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 0.13 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.13 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.13 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.13 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.13 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.13 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.14 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.15 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.29 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 1.5 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 7.2 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.14 g/L | Biyaha aan la daboolin pH 5.68; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 3.7 x 10-4 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-4 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-4 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-4 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.7 x 10-4 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 3.8 x 10-4 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-4 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-4 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 4.2 x 10-3 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 0.020 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 3.8 x 10-4 mol/L | Biyaha aan la daboolin pH 5.68; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 361.35 | ||
| pKa | 8.27±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.459±0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 247.5 ± 3.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 7 | (1) ACD | |
| H Aqbalayaasha | 9 | (1) ACD | |
| H Deeq-bixiyayaasha | 4 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 13 | (1) ACD | |
| logP | -0.212± 0.585 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 361.35 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Hanti | Qiimaha | Isha Xaaladda |
| Aagga dusha sare ee Polar | 128 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1 H NMR
13 C NMR
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