L-dehydroascorbate anion
C₆H₅O₆-·173.100 g/mol·CID 44123501
IUPAC: 2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxofuran-3-olate
Also known as: L-dehydroascorbic acid(1-), CHEBI:58539, Q27125856, 2-[(1S)-1,2-dihydroxyethyl]-3,4,5-trioxotetrahydrofuran-2-ide
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
173.100g/mol
Exact Mass
173.008613Da
Monoisotopic Mass
173.008613Da
XLogP
-0.6
Polar Surface Area
107.0Ų
Complexity
265
Formal Charge
-1
H-Bond Donors
2
H-Bond Acceptors
6
Rotatable Bonds
2
Heavy Atoms
12
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 173.1 g/mol
MW ≤ 500
✓ -0.6
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-9H,1H2/p-1/t2-/m0/s1