Synonyms
Status
Molecule Category Free-form
UNII A1O5EUP7KS

Structure

InChI Key OVRNDRQMDRJTHS-UOLFYFMNSA-N
Smiles CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O
InChI
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H15NO6
Molecular Weight 221.21
AlogP -3.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 119.25
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- 199.53 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 199.53 - - -

Related Entries

Cross References

Resources Reference
ChEBI 41112
ChEMBL CHEMBL1231391
FDA SRS A1O5EUP7KS
PDB BM3
PubChem 65150
SureChEMBL SCHEMBL379737
ZINC ZINC000004096030