chempirical

2′-Deoxy-2′-fluorocytidine

C9H12FN3O4CAS 10212-20-1245.21 g/mol

Open in Covalent MOL file
HNNOOHOHFOHN
AlcoholAlkyl halideEtherPhenol

Properties

Molecular formula
C9H12FN3O4
Molar mass
245.21 g/mol
Exact mass
245.0812 Da
Melting point
163–167 °C
logP
-1.34Crippen estimate
Polar surface area
111.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Identifiers

CAS number
10212-20-1
SMILES
N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(O)n1
InChIKey
NVZFZMCNALTPBY-XVFCMESISA-N
InChI
InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)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.

Names and synonyms

6 names
  • Cytidine, 2′-deoxy-2′-fluoro-
  • 2′-Fluoro-2′-deoxy-β-D-ribofuranosylcytosine
  • 2′-Fluoro-2′-deoxycytidine
  • NSC 529432
  • 1562: PN: US6617438 TABLE: 1 claimed sequence
  • 4-Amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Work with 2′-Deoxy-2′-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

Cytarabine147-94-479 % similar Cytidine65-46-379 % similar Cytarabine hydrochloride69-74-974 % similar 2′-O-Methylcytidine2140-72-970 % similar Cytidine, sulfate (salt)32747-18-567 % similar 2′-O-(2-Methoxyethyl)cytidine223777-16-064 % similar 2′-Cytidylic acid85-94-964 % similar 1-(2-Deoxy-2-fluoro-β-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione69123-94-063 % similar

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

Same formula

5-Fluoro-2′-deoxycytidine10356-76-0 3'-Fluoro-3'-deoxycytidine123402-20-0 5′-Deoxy-5-fluorocytidine66335-38-4

Elsewhere

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