Molnupiravir

C₁₃H₁₉N₃O₇CAS 2492423-29-5329.31 g/mol

Open in Covalent MOL file

Alcohol Ester Ether Secondary 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 Å²
H-bond donors / acceptors: 4 / 9
Rotatable bonds: 5
Stereocentres: R, S, R, Rin SMILES atom order

Hazards

Danger

H372 Causes damage to organs through prolonged or repeated exposure97.3% of notifiers

Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P319, P501

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

Weigh it out

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