5-Fluoro-2′-deoxycytidine

C₉H₁₂FN₃O₄CAS 10356-76-0245.21 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Phenol

Properties

Molecular formula: C₉H₁₂FN₃O₄
Molar mass: 245.21 g/mol
Exact mass: 245.0812 Da
Melting point: 163 °C
logP: -1.15Crippen 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

10356-76-0

SMILES

N=c1nc(O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F

InChIKey

IDYKCXHJJGMAEV-RRKCRQDMSA-N

InChI

InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1

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Names and synonyms

5 names

Cytidine, 2′-deoxy-5-fluoro-
2′-Deoxy-5-fluorocytidine
Ro 5-1090
5-Fluorodeoxycytidine
NSC 48006

Work with 5-Fluoro-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

5-Bromo-2′-deoxycytidine1022-79-373 % similar Ibacitabine611-53-073 % similar 5-Methyl-2′-deoxycytidine838-07-373 % similar Emtricitabine143491-57-064 % similar 5-Fluorocytidine2341-22-264 % similar 5-Aza-2′-deoxycytidine2353-33-562 % similar Deoxycytidine951-77-960 % similar Floxuridine50-91-960 % similar

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

Same formula

2′-Deoxy-2′-fluorocytidine10212-20-1 3'-Fluoro-3'-deoxycytidine123402-20-0 5′-Deoxy-5-fluorocytidine66335-38-4

Elsewhere

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