[14C]ascorbic acid   Click here for help

GtoPdb Ligand ID: 4532

Synonyms: [14C]-ascorbic acid
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES OCC(C1OC(=O)C(=C1O)O)O
Isomeric SMILES OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChI Key CIWBSHSKHKDKBQ-JLAZNSOCSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
Synonyms Click here for help
[14C]-ascorbic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL196
DrugCentral Ligand 4072
GtoPdb PubChem SID 178101253
PubChem CID 54670067
RCSB PDB Ligand ASC
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Tocris
L-Ascorbic acid
Cat. No. 4055