Tenofovir

C9H14N5O4PCAS 147127-20-6287.22 g/mol

Open in Covalent MOL file
NNNH2NNOPOHOOH
EtherPhosphonatePrimary amine

Properties

Molecular formula
C9H14N5O4P
Molar mass
287.22 g/mol
Exact mass
287.0783 Da
Melting point
276–280 °C
logP
-0.05Crippen estimate
Polar surface area
136.4 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Danger
Corrosive (GHS05)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
147127-20-6
SMILES
C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O
InChIKey
SGOIRFVFHAKUTI-ZCFIWIBFSA-N
InChI
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
  • Phosphonic acid, [[2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, (R)-
  • Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-
  • P-[[(1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic acid
  • (R)-9-(2-Phosphonomethoxypropyl)adenine
  • PMPA
  • GS 1275
  • GS 1278
  • Tenefovir
  • [(2R)-1-(6-Aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
  • ([[(2R)-1-(6-Amino-9H-purin-9-yl)propan-2-yl]oxy]methyl)phosphonic acid

Work with Tenofovir

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, hydrate (1:1)206184-49-8Hydrate (S)-Tenofovir147127-19-3Enantiomer

Similar compounds

Phenyl hydrogen ((R)-1-(6-amino-9H-purin-9-YL)propan-2-yloxy)methylphosphonate379270-35-668 % similar Adefovir106941-25-763 % similar Tenofovir disoproxil201341-05-159 % similar S-9-(2-Hydroxypropyl)adenine14047-27-957 % similar D-(-)-9-(2-Hydroxypropyl)adenine14047-28-057 % similar Tenofovir disoproxil fumarate202138-50-954 % similar Tenofovir alafenamide379270-37-852 % similar Tenofovir alafenamide fumarate1392275-56-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook