chempirical

Tenofovir disoproxil

C19H30N5O10PCAS 201341-05-1519.45 g/mol

Open in Covalent MOL file
OOOOPOONNH2NNNOOOO
CarbonateEtherPhosphonatePrimary amine

Properties

Molecular formula
C19H30N5O10P
Molar mass
519.45 g/mol
Exact mass
519.1730 Da
logP
3.04Crippen estimate
Polar surface area
185.4 Ų
H-bond donors / acceptors
1 / 14
Rotatable bonds
13
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
201341-05-1
SMILES
CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C
InChIKey
JFVZFKDSXNQEJW-CQSZACIVSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, bis(1-methylethyl) ester, 5-oxide, (R)-
  • 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide
  • 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, bis(1-methylethyl) ester, 5-oxide
  • Bis-POC-PMPA
  • GS 4331

Work with Tenofovir disoproxil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tenofovir147127-20-659 % similar Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, hydrate (1:1)206184-49-857 % similar Tenofovir alafenamide379270-37-855 % similar Phenyl hydrogen [(R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy]methylphosphonate379270-35-652 % similar Adefovir dipivoxil142340-99-651 % similar Diethyl P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate116384-53-346 % similar (αS)-6-Amino-α-methyl-9H-purine-9-ethanol14047-27-943 % similar (αR)-6-Amino-α-methyl-9H-purine-9-ethanol14047-28-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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