chempirical

Adefovir dipivoxil

C20H32N5O8PCAS 142340-99-6501.48 g/mol

Open in Covalent MOL file
OOOPOONNNH2NNOOO
EsterEtherPhosphonatePrimary amine

Properties

Molecular formula
C20H32N5O8P
Molar mass
501.48 g/mol
Exact mass
501.1989 Da
logP
2.70Crippen estimate
Polar surface area
167.0 Ų
H-bond donors / acceptors
1 / 12
Rotatable bonds
11

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
142340-99-6
SMILES
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C
InChIKey
WOZSCQDILHKSGG-UHFFFAOYSA-N
InChI
InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)

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Names and synonyms

8 names
  • Propanoic acid, 2,2-dimethyl-, 1,1′-[[[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphinylidene]bis(oxymethylene)] ester
  • Propanoic acid, 2,2-dimethyl-, [[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphinylidene]bis(oxymethylene) ester
  • GS 0840
  • Preveon
  • Hepsera
  • Bis(POM)-PMEA
  • 30: PN: WO2016077321 SEQID: 30 claimed sequence
  • [2-(6-Aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Work with Adefovir dipivoxil

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

[[[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]hydroxyphosphinyl]oxy]methyl 2,2-dimethylpropanoate142341-05-780 % similar Diethyl P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate116384-53-367 % similar Adefovir106941-25-756 % similar Tenofovir disoproxil201341-05-151 % similar Tenofovir disoproxil fumarate202138-50-946 % similar 9-(2-Hydroxyethyl)adenine707-99-340 % similar (S)-Tenofovir147127-19-340 % similar Tenofovir147127-20-640 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook