1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose

C₂₁H₁₈Cl₂O₇CAS 1207459-15-1453.27 g/mol

Open in Covalent MOL file

Acetal Aryl halide Ester Ether

Properties

Molecular formula: C₂₁H₁₈Cl₂O₇
Molar mass: 453.27 g/mol
Exact mass: 452.0430 Da
logP: 4.05Crippen estimate
Polar surface area: 88.1 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 6
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

1207459-15-1

SMILES

CC(=O)OC1C[C@@H]([C@H](O1)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl

InChIKey

XHRJNOXRTTZFEQ-PAMZHZACSA-N

InChI

InChI=1S/C21H18Cl2O7/c1-12(24)28-19-10-17(30-21(26)14-4-8-16(23)9-5-14)18(29-19)11-27-20(25)13-2-6-15(22)7-3-13/h2-9,17-19H,10-11H2,1H3/t17-,18+,19?/m0/s1

Weigh it out

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

Names and synonyms

1 names

1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose

Work with 1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose

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-3,5-di-O-(p-chlorobenzoyl)-α-D-erythro-pentofuranosyl chloride21740-23-867 % similar 3,5-Di-O-(4-methylbenzoyl)-2-deoxy-α-L-erythro-pentofuranosyl chloride141846-57-354 % similar Hoffer'S chlorosugar4330-21-654 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose3080-30-650 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-950 % similar Ethyl 4-chlorobenzoate7335-27-546 % similar Methyl 4-chlorobenzoate1126-46-140 % similar P-Chlorobenzoyl peroxide94-17-739 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook