dehydroascorbide(1-)
C₆H₅O₆-·173.100 g/mol·CID 49791981
IUPAC: 2-(1,2-dihydroxyethyl)-4,5-dioxofuran-3-olate
Also known as: L-dehydro-ascorbate, dehydroascorbide anion, dehydroascorbic acid anion, CHEBI:58070, 2-(1,2-dihydroxyethyl)-3,4,5-trioxooxolan-2-ide (+2 more)
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
0
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
Isomers8 compounds with formula C₆H₅O₆-
2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxofuran-3-olate
CID 44123501 · 173.1 g/mol
propane-1,2,3-tricarboxylate
CID 6946681 · 173.1 g/mol
propane-1,1,1-tricarboxylate
CID 21864432 · 173.1 g/mol
oxidooxyperoxyperoxybenzene
CID 18339937 · 173.1 g/mol
2-oxo-2-(2-oxooxolan-3-yl)oxyacetate
CID 140759620 · 173.1 g/mol
2,3-dicarboxycyclopropane-1-carboxylate
CID 4861034 · 173.1 g/mol
(E)-2-(carboxymethyl)-4-hydroxy-4-oxobut-2-enoate
CID 21604878 · 173.1 g/mol
(E)-but-2-enedioate acetate
CID 22481252 · 173.1 g/mol