Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W4888I119H

Structure

InChI Key FEWJPZIEWOKRBE-JCYAYHJZSA-N
Smile O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O6
Molecular Weight 150.09
AlogP -2.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 115.06
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
ChEBI 15671
ChEMBL CHEMBL1236315
DrugBank DB09459
DrugCentral 2566
EPA CompTox DTXSID8023632
FDA SRS W4888I119H
Human Metabolome Database HMDB00956
PDB TLA
SureChEMBL SCHEMBL5762
ZINC ZINC000000895301