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

Structure

InChI Key INAPMGSXUVUWAF-GCVPSNMTSA-N
Smiles OC1[C@H](O)[C@@H](O)C(O[P](O)(O)=O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4-,5-,6?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13O9P1
Molecular Weight 260.03
AlogP -3.72
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 167.91
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 15421-51-9
NORMAN SUSDAT