Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4FVV5NHD94
EPA CompTox DTXSID10240172

Structure

InChI Key DKNIFLGCIMSZGQ-UHFFFAOYSA-N
Smiles OCOCC1(CO)COCOC1
InChI
InChI=1S/C7H14O5/c8-1-7(2-10-5-9)3-11-6-12-4-7/h8-9H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14O5
Molecular Weight 178.08
AlogP -1.06
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 68.15
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 93983-24-5
NORMAN SUSDAT
FDA SRS 4FVV5NHD94
PubChem 11971224
ChemSpider 10144605.0