2-Deoxy-3,5-di-O-(p-chlorobenzoyl)-α-D-erythro-pentofuranosyl chloride

C19H15Cl3O5CAS 21740-23-8429.67 g/mol

Open in Covalent MOL file
OOOClOOClCl
Alkyl halideAryl halideEsterEther

Properties

Molecular formula
C19H15Cl3O5
Molar mass
429.67 g/mol
Exact mass
427.9985 Da
logP
4.73Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5
Stereocentres
R, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
21740-23-8
SMILES
O=C(OC[C@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
QEHCZULNFYDPPL-BBWFWOEESA-N
InChI
InChI=1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2/t15-,16+,17-/m0/s1

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Names and synonyms

10 names
  • α-D-Erythro-pentofuranosyl chloride, 2-deoxy-, 3,5-bis(4-chlorobenzoate)
  • D-Erythro-Pentofuranosyl chloride, 2-deoxy-, bis(p-chlorobenzoate), α-
  • α-D-Erythro-Pentofuranosyl chloride, 2-deoxy-, bis(4-chlorobenzoate)
  • Benzoic acid, p-chloro-, diester with 2-deoxy-α-D-erythro-pentofuranosyl chloride
  • 2-Deoxy-3,5-di-O-(p-chlorobenzoyl)-α-D-ribofuranosyl chloride
  • 1-Chloro-2-deoxy-3,5-O-bis(p-chlorobenzoyl)-α-D-erythro-pentofuranose
  • 3,5-O-Bis(p-chlorobenzoyl)-2-deoxy-α-D-ribofuranosyl chloride
  • 3,5-Bis(4-chlorobenzoyl)-2-deoxy-α-D-ribofuranosyl chloride
  • 3,5-Di-O-(p-chlorobenzoyl)-2-deoxy-α-D-erythro-pentofuranosyl chloride
  • NSC 140594

Work with 2-Deoxy-3,5-di-O-(p-chlorobenzoyl)-α-D-erythro-pentofuranosyl chloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Chloro-3,5-di(4-chlorbenzoyl)-2-deoxy-D-ribose3601-90-9Stereoisomer

Similar compounds

3,5-Di-O-(4-methylbenzoyl)-2-deoxy-α-L-erythro-pentofuranosyl chloride141846-57-376 % similar 1-Chloro-3,5-di-O-toluoyl-2-deoxy-D-ribofuranose3601-89-676 % similar Hoffer's chlorosugar4330-21-676 % similar 1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose1207459-15-167 % similar Ethyl 4-chlorobenzoate7335-27-547 % similar p-Chlorobenzoyl peroxide94-17-743 % similar Alpha-D-glucopyranose pentabenzoate22415-91-442 % similar Penta-O-benzoyl-alpha-D-mannopyranose41569-33-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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