3,5-Di-O-benzoyl-2-deoxy-2,2-difluoro-beta-L-erythro-pentofuranose

C₁₉H₁₆F₂O₆CAS 153012-08-9378.33 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ester Ether

Properties

Molecular formula: C₁₉H₁₆F₂O₆
Molar mass: 378.33 g/mol
Exact mass: 378.0915 Da
logP: 2.42Crippen estimate
Polar surface area: 82.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5
Stereocentres: S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

153012-08-9

SMILES

C1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](C([C@H](O2)O)(F)F)OC(=O)C3=CC=CC=C3

InChIKey

PRZDMMRKPZAYHW-MPGHIAIKSA-N

InChI

InChI=1S/C19H16F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15,18,24H,11H2/t14-,15-,18-/m0/s1

Weigh it out

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

Names and synonyms

1 names

2-Deoxy-2,2-difuoro-D-ribofuranose-3,5-dibenzoate

Work with 3,5-Di-O-benzoyl-2-deoxy-2,2-difluoro-beta-L-erythro-pentofuranose

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-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate122111-11-964 % similar α-D-Erythro-Pentofuranose, 2-deoxy-2,2-difluoro-, 3,5-dibenzoate 1-methanesulfonate134877-42-264 % similar (2R,3R)-2-[(Benzoyloxy)methyl]-4,4-difluoro-5-oxooxolan-3-yl benzoate122111-01-759 % similar 3′,5′-Di-O-benzoyl-2′-deoxy-2′,2′-difluorocytidine134790-39-956 % similar (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate874638-80-956 % similar 1,2,3,5-Tetra-O-benzoyl-2-C-methyl-β-D-ribofuranose15397-15-655 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-553 % similar Alpha-D-glucopyranose pentabenzoate22415-91-450 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook