D-GLUCITOL, 1,3:2,4-BIS-O-[(4-METHYLPHENYL)METHYLENE]-

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key LQAFKEDMOAMGAK-OVQJPPBNSA-N
Smiles Cc1ccc(cc1)[C@H]2OC[C@@H]3[C@@H](O2)[C@@H](O[C@@H](O3)c4ccc(cc4)C)[C@@H](CO)O
InChI
InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18-,19+,20-,21+,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26O6
Molecular Weight 386.17
AlogP 2.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 77.38
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 81541-12-0
NORMAN SUSDAT
PubChem 3086134
ChemSpider 16896.0
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