(3S,4S,5R)-5-((Benzoyloxy)methyl)-4-fluorotetrahydrofuran-2,3-diyl diacetate

C₁₆H₁₇FO₇CAS 159099-24-8340.30 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ester Ether

Properties

Molecular formula: C₁₆H₁₇FO₇
Molar mass: 340.30 g/mol
Exact mass: 340.0958 Da
logP: 1.40Crippen estimate
Polar surface area: 88.1 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 5
Stereocentres: S, S, Rin SMILES atom order

Identifiers

CAS number

159099-24-8

SMILES

CC(=O)O[C@@H]1[C@H]([C@H](OC1OC(=O)C)COC(=O)C2=CC=CC=C2)F

InChIKey

JMEMYKBTQDHFEB-MHRDGSLOSA-N

InChI

InChI=1S/C16H17FO7/c1-9(18)22-14-13(17)12(24-16(14)23-10(2)19)8-21-15(20)11-6-4-3-5-7-11/h3-7,12-14,16H,8H2,1-2H3/t12-,13+,14-,16?/m1/s1

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Names and synonyms

1 names

1,2-Di-O-acetyl-5-O-benzoyl-3-deoxy-3-fluoro-D-xylofuranose

Work with (3S,4S,5R)-5-((Benzoyloxy)methyl)-4-fluorotetrahydrofuran-2,3-diyl diacetate

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-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-973 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-551 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-148 % similar β-D-Galactose pentaacetate4163-60-448 % similar α-D-Mannose pentaacetate4163-65-948 % similar Penta-O-acetyl-α-D-glucopyranose604-68-248 % similar β-D-Glucose pentaacetate604-69-348 % similar Glucose pentaacetate83-87-448 % similar

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

Elsewhere

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