N4-Benzoyl-2'-O-methylcytidine

C₁₇H₁₉N₃O₆CAS 52571-45-6361.35 g/mol

Open in Covalent MOL file

Alcohol Amide Ether

Properties

Molecular formula: C₁₇H₁₉N₃O₆
Molar mass: 361.35 g/mol
Exact mass: 361.1274 Da
logP: -0.24Crippen estimate
Polar surface area: 122.9 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 5
Stereocentres: R, R, 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

52571-45-6

SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O

InChIKey

LIZIIHWLABYQKD-XKVFNRALSA-N

InChI

InChI=1S/C17H19N3O6/c1-25-14-13(22)11(9-21)26-16(14)20-8-7-12(19-17(20)24)18-15(23)10-5-3-2-4-6-10/h2-8,11,13-14,16,21-22H,9H2,1H3,(H,18,19,23,24)/t11-,13-,14-,16-/m1/s1

Weigh it out

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Work with N4-Benzoyl-2'-O-methylcytidine

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′-O-Methyluridine2140-76-363 % similar N(4)-Methylcytidine10578-79-755 % similar N4-Hydroxycytidine3258-02-454 % similar 3'-O-Methylcytidine20594-00-752 % similar 5-Methyl-2′-O-methyluridine55486-09-451 % similar (2R,3R,4R,5S)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate874638-94-549 % similar 2′-O-Methylcytidine2140-72-949 % similar 4-Thiouridine13957-31-848 % similar

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

Same formula

Varenicline tartrate375815-87-5 Methyl 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate519032-08-7

Elsewhere

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