D-ascorbic acid   

GtoPdb Ligand ID: 4651

2D Structure
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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
SMILES / InChI / InChIKey
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+/m1/s1
InChI Key CIWBSHSKHKDKBQ-MVHIGOERSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
Database Links
CAS Registry No. 10504-35-5 (source: Scifinder)
ChEBI CHEBI:51384
GtoPdb PubChem SID 178101368
PubChem CID 54690394
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