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| CAS No.: | 201341-05-1 |
|---|---|
| Name: | Tenofovir disoproxil |
| Molecular Structure: | |
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| Formula: | C19H30N5O10P |
| Molecular Weight: | 519.448 |
| Synonyms: | 2,4,6,8-Tetraoxa-5-phosphanonanedioicacid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-,bis(1-methylethyl) ester, 5-oxide (9CI);2,4,6,8-Tetraoxa-5-phosphanonanedioicacid, 5-[[2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, bis(1-methylethyl)ester, 5-oxide, (R)-;Bis-POC-PMPA;GS 4331;9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine; |
| EINECS: | 606-442-6 |
| Density: | 1.459 g/cm3 |
| Boiling Point: | 642.733 °C at 760 mmHg |
| Flash Point: | 342.513 °C |
| PSA: | 195.25000 |
| LogP: | 3.61680 |
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Specification
The Tenofovir disoproxil, with the CAS registry number 201341-05-1, is also known as 9-((R)-2-((Bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine. It belongs to the classification codes of Anti-HIV Agents; Anti-Infective Agents; Anti-Retroviral Agents; Antiviral Agents; Enzyme Inhibitors; Nucleic Acid Synthesis Inhibitors; Reverse Transcriptase Inhibitors. This chemical's molecular formula is C19H30N5O10P and molecular weight is 519.44. What's more, its systematic name is called Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate.
Physical properties about Tenofovir disoproxil are: (1)ACD/LogP: 1.605; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.60; (5)ACD/BCF (pH 5.5): 9.02; (6)ACD/BCF (pH 7.4): 9.75; (7)ACD/KOC (pH 5.5): 164.34; (8)ACD/KOC (pH 7.4): 177.64; (9)#H bond acceptors: 15; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 195.25 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 118.258 cm3; (15)Molar Volume: 356.106 cm3; (16)Polarizability: 46.881×10-24cm3; (17)Surface Tension: 53.88 dyne/cm; (18)Density: 1.459 g/cm3; (19)Flash Point: 342.513 °C; (20)Enthalpy of Vaporization: 94.854 kJ/mol; (21)Boiling Point: 642.733 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCOC(=O)OC(C)C)(OCOC(=O)OC(C)C)CO[C@H](C)Cn1c2ncnc(c2nc1)N
(2) InChI: InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1
(3) InChIKey: JFVZFKDSXNQEJW-CQSZACIVSA-N