1,4:3,6-DIANHYDRO-2,5-BIS-O-(DIPHENOXYPHOSPHORYL)-D-GLUCITOL

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

Structure

InChI Key KZGIAKZTZNBGFA-GOGZTAQTSA-N
Smiles O=P(O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)OP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChI
InChI=1S/C30H28O10P2/c31-41(35-23-13-5-1-6-14-23,36-24-15-7-2-8-16-24)39-27-21-33-30-28(22-34-29(27)30)40-42(32,37-25-17-9-3-10-18-25)38-26-19-11-4-12-20-26/h1-20,27-30H,21-22H2/t27-,28+,29-,30-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H28O10P2
Molecular Weight 610.12
AlogP 7.09
Hydrogen Bond Acceptor 10.0
Number of Rotational Bond 12.0
Polar Surface Area 107.98
Heavy Atoms 42.0

Cross References

Resources Reference
CAS NUMBER 1305113-15-8
NORMAN SUSDAT
PubChem 87397973
CONTENTS