alpha-D-Galactopyranoside, 6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-alpha-D-galactopyranosyl, 6-(3-hydroxy-2-tetradecyloctadecanoate)

HCID 196315

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Basic information

CAS: 93602-72-3
Standard SMILES: CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIKey: LFRXCNXVZHVRSE-VXQQBBDLSA-N
Molecular formula: C76H146O15
Average molar mass: 1,300 g/mol
Monoisotopic mass: 1,299.06617395

Overview

structure given in first source

Names & identifiers

Preferred name: alpha-D-Galactopyranoside, 6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-alpha-D-galactopyranosyl, 6-(3-hydroxy-2-tetradecyloctadecanoate)
IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(3-hydroxy-2-tetradecyloctadecanoyl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate
English name: 6,6'-di-O-corynomycolyl galactopyranosyl-galactopyranoside
Molecular formula: C76H146O15
Molecular weight: 1299.96344

Names & synonyms

DCMGP93602-72-3DTXSID8011030736,6'-Di-O-corynomycolyl galactopyranosyl-galactopyranoside6,6'-Di-O-corynomycoloyl-alpha-D-galactopyranosyl-alpha-D-galactopyranosidealpha-D-Galactopyranoside, 6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-alpha-D-galactopyranosyl, (3alpha,5beta,7alpha,12alpha,24xi)-RefChem:915502DTXCID201534753alpha-D-Galactopyranoside, 6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-alpha-D-galactopyranosyl, 6-(3-hydroxy-2-tetradecyloctadecanoate)[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(3-hydroxy-2-tetradecyloctadecanoyl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoateI+/--D-Galactopyranoside, 6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-I+/--D-galactopyranosyl, 6-(3-hydroxy-2-tetradecyloctadecanoate)

Database identifiers

CAS: 93602-72-3
PubChem CID: 196315

Properties

Computed structural properties

XLogP: 24.9
Topological polar surface area: 242 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 15
Rotatable bonds: 66
Heavy atoms: 91
Formal charge: 0
Complexity: 1,510

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