chempirical

(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone

C6H9FO4CAS 879551-04-9164.13 g/mol

Open in Covalent MOL file
FOOHOHO
AlcoholAlkyl halideEsterLactone

Properties

Molecular formula
C6H9FO4
Molar mass
164.13 g/mol
Exact mass
164.0485 Da
Melting point
142–143 °C
logP
-1.01Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
879551-04-9
SMILES
C[C@]1(F)C(=O)O[C@H](CO)[C@H]1O
InChIKey
VNCJYMKHJWVTPK-ZMIZWQJLSA-N
InChI
InChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4-,6-/m1/s1

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Names and synonyms

1 names
  • D-Erythro-Pentonic acid, 2-deoxy-2-fluoro-2-methyl-, γ-lactone, (2R)-

Work with (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone

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

2-C-Methyl-D-ribono-1,4-lactone492-30-861 % similar (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate874638-80-938 % similar 2,3-O-Isopropylidene-D-ribonolactone30725-00-935 % similar 2-Deoxy-D-ribono-1,4-lactone34371-14-734 % similar (+)-Ribonolactone5336-08-333 % similar Glucono delta-lactone90-80-233 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-832 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-432 % similar

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

Elsewhere

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