2′-Deoxy-2′-fluoro-2′-C-methylcytidine

C₁₀H₁₄FN₃O₄CAS 817204-33-4259.24 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Phenol

Properties

Molecular formula: C₁₀H₁₄FN₃O₄
Molar mass: 259.24 g/mol
Exact mass: 259.0968 Da
Melting point: 216.4–218 °C
logP: -0.95Crippen estimate
Polar surface area: 111.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

817204-33-4

SMILES

C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=N)nc1O

InChIKey

NYPIRLYMDJMKGW-VPCXQMTMSA-N

InChI

InChI=1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1

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Names and synonyms

4 names

Cytidine, 2′-deoxy-2′-fluoro-2′-methyl-, (2′R)-
(2′R)-2′-Deoxy-2′-fluoro-2′-methylcytidine
PSI 6130
R 1656

Work with 2′-Deoxy-2′-fluoro-2′-C-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

Gemcitabine95058-81-475 % similar Gemcitabine hydrochloride122111-03-971 % similar (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine863329-66-266 % similar Cytarabine147-94-457 % similar Cytidine65-46-357 % similar 2′-Deoxy-2′-fluorocytidine10212-20-156 % similar Cytarabine hydrochloride69-74-954 % similar 2′-O-Methylcytidine2140-72-954 % similar

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

Elsewhere

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