[4,5-Dibenzoyloxy-6-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate

HCID 219974

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Basic information

CAS: 92516-60-4
Standard SMILES: COC1OC(COS(=O)(=O)c2ccc(C)cc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1
InChIKey: MOUJDHOVWOQOMG-UHFFFAOYSA-N
Molecular formula: C35H32O11S
Average molar mass: 660.7 g/mol
Monoisotopic mass: 660.16653301

Names & identifiers

Preferred name: [4,5-Dibenzoyloxy-6-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate
IUPAC: [4,5-dibenzoyloxy-6-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoate

Names & synonyms

92516-60-4NSC1949[4,5-dibenzoyloxy-6-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl] benzoateDTXSID50277366methyl 2,3,4-tri-O-benzoyl-6-O-[(4-methylphenyl)sulfonyl]-alpha-D-mannopyranosideMOUJDHOVWOQOMG-UHFFFAOYSA-NNSC-1949Methyl 2,3,4-tribenzoyl-6-p-toluenesulfonyl-.alpha.-d-altrosideMethyl 2,3,4-tri-O-benzoyl-6-O-(4-methylbenzene-1-sulfonyl)hexopyranosideMethyl 2,3,4-tri-O-benzoyl-6-O-[(4-methylphenyl)sulfonyl]hexopyranoside #METHYL.ALPHA.-D-MANNOPYRANOSIDE,3,4-TRIBENZOATE, 6-P-TOLUENESULFONATE

Database identifiers

CAS: 92516-60-4
PubChem CID: 219974
DTXSID: DTXSID50277366

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 149 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 11
Rotatable bonds: 14
Heavy atoms: 47
Formal charge: 0
Complexity: 1,130

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