Benzyl (3-hydroxy-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) carbonate

HCID 321801

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Basic information

CAS: 57649-26-0
Standard SMILES: O=C(OCc1ccccc1)OC1C2COC(O2)C(OC(=O)OCc2ccccc2)C1O
InChIKey: ITMZNFHKZRDUHH-UHFFFAOYSA-N
Molecular formula: C22H22O9
Average molar mass: 430.4 g/mol
Monoisotopic mass: 430.12638228

Names & identifiers

Preferred name: Benzyl (3-hydroxy-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) carbonate
IUPAC: benzyl (3-hydroxy-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) carbonate

Names & synonyms

57649-26-0NSC275622benzyl (3-hydroxy-2-phenylmethoxycarbonyloxy-6,8-dioxabicyclo[3.2.1]octan-4-yl) carbonateDTXSID30313716NSC-275622Dibenzyl 3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diyl biscarbonate

Database identifiers

CAS: 57649-26-0
PubChem CID: 321801
DTXSID: DTXSID30313716

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 110 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 10
Heavy atoms: 31
Formal charge: 0
Complexity: 600

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