Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XBF6GMZ9TW

Structure

InChI Key UOXVFQCRPDLSFN-DGXTUMSLSA-N
Smiles CO[C@@H]1C(=O)CC[C@@](C)(O)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C
InChI
InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26O5
Molecular Weight 298.18
AlogP 1.36
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 79.29
Heavy Atoms 21.0

Cross References

Resources Reference
NORMAN SUSDAT
FDA SRS XBF6GMZ9TW
PubChem 5289086