chempirical

Valganciclovir

C14H22N6O5CAS 175865-60-8354.37 g/mol

Open in Covalent MOL file
H2NOOHOONNOHNNHHN
AlcoholEsterEtherPhenolPrimary amine

Properties

Molecular formula
C14H22N6O5
Molar mass
354.37 g/mol
Exact mass
354.1652 Da
logP
-1.19Crippen estimate
Polar surface area
172.4 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
175865-60-8
SMILES
CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(O)nc(=N)[nH]c21
InChIKey
WPVFJKSGQUFQAP-GKAPJAKFSA-N
InChI
InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-hydroxypropyl ester
  • Valcept
  • Rovalcyte

Work with Valganciclovir

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

Valganciclovir hydrochloride175865-59-595 % similar Valacyclovir124832-26-472 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-872 % similar Valacyclovir hydrochloride124832-27-569 % similar Ganciclovir82410-32-065 % similar Ganciclovir sodium107910-75-848 % similar N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester124832-31-148 % similar Penciclovir39809-25-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook