alpha,alpha-Trehalose 6,6'-diphosphate

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate

Also Known As: Trehalose 6,6'-diphosphate|alpha,alpha-Trehalose 6,6'-diphosphate|A,|A-trehalose 6,6'-diphosphate|alpha,alpha-trehalose 6,6/'-diphosphate|Trehalose, 6,6'-bis(dihydrogen phosphate)|6-O-Phosphonohexopyranosyl 6-O-phosphonohexopyranoside|6-o-phosphono-|A-d-glucopyranosyl 6-o-phosphono-|A-d-glucopyranoside|[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate|6-O-Phosphono-alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside|Phosphoric acid mono-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-phosphonooxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-ylmethyl] ester

Molecular Formula	C12H24O17P2
Molecular Weight	502.04886 g/mol
LogP	-7.5
Topological Polar Surface Area	283.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	17
Rotatable Bonds	8
Exact Mass	502.04886
Monoisotopic Mass	502.04886
Heavy Atoms	31
Complexity	624.0

Chemical Identifiers

CAS Number	1745-65-9
SMILES	C([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)COP(=O)(O)O)O)O)O)O)O)O)OP(=O)(O)O
InChIKey	UKVYVCPNPMKOAO-LIZSDCNHSA-N