beta-D-Galactopyranosyl-(1->4)-3,6-anhydro-alpha-L-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-3,6-anhydro-L-galactose

HCID 165339999

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Basic information

CAS: 69178-33-2
Standard SMILES: O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H]3CO[C@@H]([C@@H]2O)[C@@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey: VPHAOYAEDBBZAH-JJXCRLQXSA-N
Molecular formula: C24H38O19
Average molar mass: 630.5 g/mol
Monoisotopic mass: 630.20072898

Names & identifiers

Preferred name: beta-D-Galactopyranosyl-(1->4)-3,6-anhydro-alpha-L-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-3,6-anhydro-L-galactose
IUPAC: (2S)-2-[(2S,3R,4S)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(1S,3S,4S,5S,8R)-4-hydroxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxan-2-yl]oxy-4-hydroxyoxolan-2-yl]-2-hydroxyacetaldehyde

Names & synonyms

DTXSID0092546669178-33-2beta-D-Galactopyranosyl-(1->4)-3,6-anhydro-alpha-L-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-3,6-anhydro-L-galactose

Database identifiers

CAS: 69178-33-2
PubChem CID: 165339999
DTXSID: DTXSID00925466

Properties

Computed structural properties

XLogP: -6.8
Topological polar surface area: 293 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 19
Rotatable bonds: 10
Heavy atoms: 43
Formal charge: 0
Complexity: 929

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