Phenylmaltotrioside

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Basic information

CAS: 63538-05-6
Standard SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](Oc4ccccc4)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey: QWNCOASHVFFDRG-HIUMSLFHSA-N
Molecular formula: C24H36O16
Average molar mass: 580.5 g/mol
Monoisotopic mass: 580.20033506

Names & identifiers

Preferred name: Phenylmaltotrioside
IUPAC: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
English name: phenylmaltotrioside
Molecular formula: C24H36O16
Molecular weight: 580.53

Names & synonyms

PhenylmaltotriosidePhenyl-beta-maltotrioside63538-05-6beta-D-Glucopyranoside, phenyl O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-RefChem:173082DTXSID30979750Phenyl hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosidephenyl alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosideβ-D-Glucopyranoside, phenyl O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-

Database identifiers

CAS: 63538-05-6
PubChem CID: 191685
DTXSID: DTXSID30979750

Properties

Computed structural properties

XLogP: -5.2
Topological polar surface area: 258 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 16
Rotatable bonds: 9
Heavy atoms: 40
Formal charge: 0
Complexity: 771

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Compound notes

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