Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70204437

Structure

InChI Key ULOSQDCYHDNKKQ-LAGWMBQBSA-N
Smiles O=C(OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)CCCCCCCCCCC
InChI
InChI=1/C24H46O12/c1-2-3-4-5-6-7-8-9-10-11-18(29)34-14-16(28)19(30)23(15(27)12-25)36-24-22(33)21(32)20(31)17(13-26)35-24/h15-17,19-28,30-33H,2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H46O12
Molecular Weight 526.3
AlogP -1.29
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 19.0
Polar Surface Area 206.6
Heavy Atoms 36.0

Cross References

Resources Reference
CAS NUMBER 55838-75-0
NORMAN SUSDAT
PubChem 6453270