N4-Benzoyl-2′-deoxycytidine

C₁₆H₁₇N₃O₅CAS 4836-13-9331.33 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₆H₁₇N₃O₅
Molar mass: 331.33 g/mol
Exact mass: 331.1168 Da
Melting point: 230 °C (decomposes)
logP: -0.03Crippen estimate
Polar surface area: 117.2 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 3
Stereocentres: R, S, Rin SMILES atom order

Identifiers

CAS number

4836-13-9

SMILES

O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1

InChIKey

MPSJHJFNKMUKCN-OUCADQQQSA-N

InChI

InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1

Weigh it out

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

Names and synonyms

6 names

Cytidine, N-benzoyl-2′-deoxy-
Benzamide, N-[1-(2-deoxy-β-D-erythro-pentofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]-
N-Benzoyl-2′-deoxycytidine
N4-Benzoyldeoxycytidine
4-N-Benzoyldeoxycytidine
N-Benzoyldeoxycytidine

Work with N4-Benzoyl-2′-deoxycytidine

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

N-Benzoylcytidine13089-48-069 % similar N-Benzoyl-5′-O-(4,4′-dimethoxytrityl)-2′-deoxycytidine67219-55-065 % similar Deoxycytidine951-77-958 % similar 2′-Deoxycytidine hydrochloride3992-42-555 % similar 5-Aza-2′-deoxycytidine2353-33-551 % similar Deoxyuridine951-78-050 % similar N-Benzoyl-2′-deoxyadenosine4546-72-948 % similar Cytidine, N-benzoyl-2′-deoxy-2′-fluoro-2′-methyl-, 3′,5′-dibenzoate, (2′R)-817204-32-347 % similar

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

Elsewhere

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