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

Structure

InChI Key PQMRMTZIBKYCLH-MVIOUDGNSA-N
Smiles O=C(N(C)C)C(O)C(O)C(O)C(O)CO
InChI
InChI=1/C8H17NO6/c1-9(2)8(15)7(14)6(13)5(12)4(11)3-10/h4-7,10-14H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17NO6
Molecular Weight 223.11
AlogP -3.49
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 121.46
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 13096-65-6
NORMAN SUSDAT
PubChem 83134