Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X80PR7P73R

Structure

InChI Key OVRNDRQMDRJTHS-UOLFYFMNSA-N
Smile CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](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

Cross References

Resources Reference
ChEBI 41112
ChEMBL CHEMBL1231391
FDA SRS X80PR7P73R
PDB BM3
PubChem 644170
SureChEMBL SCHEMBL379737
ZINC ZINC000004096030