5-Methyl-2′-deoxycytidine

C₁₀H₁₅N₃O₄CAS 838-07-3241.25 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₀H₁₅N₃O₄
Molar mass: 241.25 g/mol
Exact mass: 241.1063 Da
logP: -0.98Crippen estimate
Polar surface area: 111.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: R, S, Rin SMILES atom order

Identifiers

CAS number

838-07-3

SMILES

Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)nc1=N

InChIKey

LUCHPKXVUGJYGU-XLPZGREQSA-N

InChI

InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1

Weigh it out

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

Names and synonyms

4 names

Cytidine, 2′-deoxy-5-methyl-
2′-Deoxy-5-methylcytidine
5-Methyldeoxycytidine
2′-Deoxy-5′-methylcytidine

Work with 5-Methyl-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

Ibacitabine611-53-076 % similar 5-Bromo-2′-deoxycytidine1022-79-373 % similar 5-Fluoro-2′-deoxycytidine10356-76-073 % similar 5-Methylcytidine2140-61-664 % similar 5-Aza-2′-deoxycytidine2353-33-562 % similar Telbivudine3424-98-461 % similar Thymidine50-89-561 % similar Deoxycytidine951-77-960 % similar

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

Same formula

4-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-methyl-1H-imidazole-2-carboxylic acid128293-64-1 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook