Bis(t-ButylOC)PMPA structure

Bis(t-ButylOC)PMPA

[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate

Also Known As: Bis(t-ButylOC)PMPA|Tenofovir prodrug|2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-((2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, bis(1,1-dimethylethyl) ester, 5-oxide, (R)-|[[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(tert-butoxycarbonyloxymethoxy)phosphoryl]oxymethyl tert-butyl carbonate|[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate|2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, bis(1,1-dimethylethyl) ester, 5-oxide, (R)-|Bis{[(tert-butoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate

CAS: 201341-01-7
Molecular Formula C21H34N5O10P
Molecular Weight 547.20435 g/mol
LogP 3.8158
Topological Polar Surface Area 185.44 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 14
Rotatable Bonds 11
Exact Mass 547.20435
Monoisotopic Mass 547.20435
Heavy Atoms 37
Complexity 1073.3112

Chemical Identifiers

CAS Number 201341-01-7
SMILES C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C

Product Overview

Bis(t-ButylOC)PMPA (CAS 201341-01-7), with molecular formula C21H34N5O10P and molecular weight 547.20435 g/mol. IUPAC: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phosphoryl]oxymethyl tert-butyl carbonate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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