1-Chloro-3,5-di(4-chlorbenzoyl)-2-deoxy-D-ribose

C₁₉H₁₅Cl₃O₅CAS 3601-90-9429.67 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ester Ether

Properties

Molecular formula: C₁₉H₁₅Cl₃O₅
Molar mass: 429.67 g/mol
Exact mass: 427.9985 Da
logP: 4.73Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 5
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3601-90-9

SMILES

C1[C@@H]([C@H](OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl

InChIKey

QEHCZULNFYDPPL-RTKIROINSA-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

1 names

1-Chloro-3,5-di-O-P-chlorobenzoyl-2-deoxy-D-ribose

Work with 1-Chloro-3,5-di(4-chlorbenzoyl)-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

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.

2-Deoxy-3,5-di-O-(p-chlorobenzoyl)-α-D-erythro-pentofuranosyl chloride21740-23-8Stereoisomer

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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