5-Fluorocytidine

C₉H₁₂FN₃O₅CAS 2341-22-2261.21 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Phenol

Properties

Molecular formula: C₉H₁₂FN₃O₅
Molar mass: 261.21 g/mol
Exact mass: 261.0761 Da
Melting point: 190–200 °C
logP: -2.18Crippen estimate
Polar surface area: 131.8 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 2
Stereocentres: R, R, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2341-22-2

SMILES

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

InChIKey

STRZQWQNZQMHQR-UAKXSSHOSA-N

InChI

InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1

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Names and synonyms

1 names

Cytidine, 5-fluoro-

Work with 5-Fluorocytidine

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-Methylcytidine2140-61-672 % similar 5′-Deoxy-5-fluorocytidine66335-38-469 % similar 5-Fluoro-2'-deoxycytidine10356-76-064 % similar Azacytidine320-67-261 % similar Cytarabine147-94-460 % similar Cytidine65-46-360 % similar 5-Fluorouridine316-46-159 % similar Emtricitabine143491-57-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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