6-O-Corynomycoloyltrehalose

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate

Also Known As: 6-O-Corynomycoloyltrehalose|6-CMT|[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2-tetradecyloctadecanoate|6-O-(3-Hydroxy-2-tetradecyloctadecanoyl)hexopyranosyl hexopyranoside|A-d-glucopyranosyl 6-o-(3-hydroxy-2-tetradecyloctadecanoyl)-|A-d-glucopyranoside|6-O-(3-Hydroxy-2-tetradecyloctadecanoyl)-alpha-D-glucopyranosyl alpha-D-glucopyranoside|alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 6-(3-hydroxy-2-tetradecyloctadecanoate)

Molecular Formula	C44H84O13
Molecular Weight	820.5912 g/mol
LogP	10.3
Topological Polar Surface Area	216.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	13
Rotatable Bonds	35
Exact Mass	820.5912
Monoisotopic Mass	820.5912
Heavy Atoms	57
Complexity	974.0

Chemical Identifiers

CAS Number	68681-65-2
SMILES	CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChIKey	MNBUNKPMKFIPAD-CEOJNNGDSA-N