3'-Fluoro-3'-deoxycytidine

C₉H₁₂FN₃O₄CAS 123402-20-0245.21 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Primary amine

Properties

Molecular formula: C₉H₁₂FN₃O₄
Molar mass: 245.21 g/mol
Exact mass: 245.0812 Da
logP: -1.59Crippen estimate
Polar surface area: 110.6 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2
Stereocentres: R, S, S, Rin SMILES atom order

Identifiers

CAS number

123402-20-0

SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)O

InChIKey

PKOBNLOZXOHYOP-XVFCMESISA-N

InChI

InChI=1S/C9H12FN3O4/c10-6-4(3-14)17-8(7(6)15)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1

Weigh it out

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

Work with 3'-Fluoro-3'-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

1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-062 % similar Uracil arabinoside3083-77-057 % similar Uridine58-96-857 % similar 4-Thiouridine13957-31-856 % similar N4-Hydroxycytidine3258-02-455 % similar N(4)-Methylcytidine10578-79-753 % similar N4-Acetylcytidine3768-18-150 % similar 2′-O-Methyluridine2140-76-349 % similar

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

Same formula

2′-Deoxy-2′-fluorocytidine10212-20-1 5-Fluoro-2′-deoxycytidine10356-76-0 5′-Deoxy-5-fluorocytidine66335-38-4

Elsewhere

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