2,4,6-Tribromophenyl 2,3,4-tri-O-acetylpentopyranoside

HCID 219935

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Basic information

CAS: 5345-86-8
Standard SMILES: CC(=O)OC1COC(Oc2c(Br)cc(Br)cc2Br)C(OC(C)=O)C1OC(C)=O
InChIKey: RJCRTFKHSGTPSI-UHFFFAOYSA-N
Molecular formula: C17H17Br3O8
Average molar mass: 589 g/mol
Monoisotopic mass: 585.84736

Names & identifiers

Preferred name: 2,4,6-Tribromophenyl 2,3,4-tri-O-acetylpentopyranoside
IUPAC: [4,5-diacetyloxy-6-(2,4,6-tribromophenoxy)oxan-3-yl] acetate

Names & synonyms

5345-86-82,4,6-Tribromophenyl 2,3,4-tri-O-acetylpentopyranosideNSC1755DTXSID60968137RJCRTFKHSGTPSI-UHFFFAOYSA-NNSC-17552,4,6-Tribromophenyl triacetyl-.beta.-d-xyloside2,4,6-Tribromophenyl-.alpha.,d-xyloside triacetate2,4,6-Tribromophenyl 2,3,4-tri-O-acetylpentopyranoside #2,6-TRIBROMOPHENYL-.BETA.-D-XYLOPYRANOSIDE, TRIACETATE

Database identifiers

CAS: 5345-86-8
PubChem CID: 219935
DTXSID: DTXSID60968137

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 577

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