L-ascorbic acid

Ligand id: 4781

Name: L-ascorbic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 107.22
Molecular weight 176.03
XLogP -0.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Metabolite or derivative
IUPAC Name
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
International Nonproprietary Names
INN number INN
372 ascorbic acid
Synonyms
vitamin C
Comments
Used as a nutritional supplement to treat vitamin C deficiency (scurvy) and to help promote wound and bone healing.
Database Links
CAS Registry No. 50-81-7 (source: Scifinder)
ChEBI CHEBI:29073
ChEMBL Ligand CHEMBL196
DrugBank Ligand DB00126
GtoPdb PubChem SID 178101483
PubChem CID 54670067
RCSB PDB Ligand ASC
Search Google for chemical match using the InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Search Google for chemicals with the same backbone CIWBSHSKHKDKBQ
Search PubMed clinical trials ascorbic acid
Search PubMed titles ascorbic acid
Search PubMed titles/abstracts ascorbic acid
Search UniChem for chemical match using the InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Search UniChem for chemicals with the same backbone CIWBSHSKHKDKBQ
Wikipedia Ascorbic_acid

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Tocris
L-Ascorbic acid
Cat. No. 4055