chempirical

Molnupiravir

C13H19N3O7CAS 2492423-29-5329.31 g/mol

Open in Covalent MOL file
OOONNONHOHOHHO
AlcoholEsterEtherSecondary amine

Properties

Molecular formula
C13H19N3O7
Molar mass
329.31 g/mol
Exact mass
329.1223 Da
logP
-1.14Crippen estimate
Polar surface area
143.1 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
5
Stereocentres
R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2492423-29-5
SMILES
CC(C)C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)NO)O)O
InChIKey
HTNPEHXGEKVIHG-QCNRFFRDSA-N
InChI
InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1

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

Names and synonyms

1 names
  • Uridine, 4-oxime, 5'-(2-methylpropanoate), (4Z)-

Work with Molnupiravir

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

((3Ar,4R,6R,6ar)-6-((E)-4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl)-2,2-dimethyltetrahydrofuro[3,4-D][1,3]dioxol-4-yl)methyl isobutyrate2346620-55-972 % similar N4-Hydroxycytidine3258-02-465 % similar N(4)-Methylcytidine10578-79-755 % similar Uracil arabinoside3083-77-046 % similar Uridine58-96-846 % similar Uridine monophosphate58-97-946 % similar 4-Thiouridine13957-31-845 % similar N4-Acetylcytidine3768-18-145 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook