Structure

InChI Key BJEPYKJPYRNKOW-UHFFFAOYSA-N
Smile O=C(O)CC(O)C(=O)O
InChI
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O5
Molecular Weight 134.09
AlogP -1.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 9.0

Indications

Mesh Heading Maximum Phase Reference
Xerostomia Phase 2/Phase 3 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 6915-15-7
ChEBI 6650
ChEMBL CHEMBL1455497
DrugBank DB12751
EPA CompTox DTXSID0027640
FDA SRS 817L1N4CKP
Human Metabolome Database HMDB0000744
Guide to Pharmacology 2480
KEGG C00711
PubChem 525
SureChEMBL SCHEMBL856