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C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) amino] - α-oxo- (ACI)
Lambarka Diiwaanka CAS
1262015-90-6
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 411.41 | - |
| Cufnaanta (La saadaaliyay) | 1.460± 0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 8.23±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
Dhoola-caddeyn
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
Furaha InChi
UDHOSZAWIHGTB-RCCFBDPRSA-N
3 Magacyo kale oo Walaxdan ah
α -[(1-Naphthalenylmethyl)amino] - α -oxothymidine (ACI); (NapdU); 87: PN: WO2020081510 SEQID: 87 ayaa sheegtay
Guryaha la heli karo
Nafley
Kiimiko
Cufnaanta
Lipinski
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 3.23 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 3.23 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 3.23 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 3.23 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 3.23 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 3.19 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 2.85 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 1.40 | 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 80.5 pH 1; Heerkulka: 25 °C (1) ACD |
| Koc 80.5 pH 2; Heerkulka: 25 °C (1) ACD |
| Koc 80.5 pH 3; Heerkulka: 25 °C (1) ACD |
| Koc 80.5 pH 4; Heerkulka: 25 °C (1) ACD |
| Koc 80.4 pH 5; Heerkulka: 25 °C (1) ACD |
| Koc 79.5 pH 6; Heerkulka: 25 °C (1) ACD |
| Koc 71.1 pH 7; Heerkulka: 25 °C (1) ACD |
| Koc 34.9 pH 8; Heerkulka: 25 °C (1) ACD |
| Koc 6.35 pH 9; Heerkulka: 25 °C (1) ACD |
| Koc 1.39 pH 10; Heerkulka: 25 °C (1) ACD |
| logD 0.97 pH 1; Heerkulka: 25 °C (1) ACD |
| logD 0.97 pH 2; Heerkulka: 25 °C (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | 0.97 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 0.97 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 0.97 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 0.97 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 0.92 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 0.61 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | -0.13 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | -0.79 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 0.973 ± 0.586 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 5.3 x 10-3 g/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.8 x 10-3 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 0.012 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 0.066 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 0.30 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Mass | 5.3 x 10-3 g/L | Biyaha aan la daboolin pH 6.37; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.3 x 10-5 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.3 x 10-5 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.4 x 10-5 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-5 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.6 x 10-4 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 7.4 x 10-4 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 1.3 x 10-5 mol/L | Biyaha aan la daboolin pH 6.37; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 411.41 | ||
| pKa | 8.23±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -1.90±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 | 1.460± 0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 281.6 ± 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 | 0.973 ± 0.586 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 411.41 |
(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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