Dehydro-D-arabinono-1,4-lactone
C₅H₆O₅·146.100 g/mol·CID 54675775
IUPAC: (2R)-3,4-dihydroxy-2-(hydroxymethyl)-2H-furan-5-one
Also known as: D-erythro-Ascorbate, (5R)-3,4-dihydroxy-5-(hydroxymethyl)furan-2(5H)-one, CHEBI:17803, (2R)-3,4-dihydroxy-2-(hydroxymethyl)-2H-furan-5-one, RefChem:937766 (+9 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
146.100g/mol
Exact Mass
146.021523Da
Monoisotopic Mass
146.021523Da
XLogP
-0.7
Polar Surface Area
87.0Ų
Complexity
194
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
5
Rotatable Bonds
1
Heavy Atoms
10
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 146.1 g/mol
MW ≤ 500
✓ -0.7
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H6O5/c6-1-2-3(7)4(8)5(9)10-2/h2,6-8H,1H2/t2-/m1/s1
Isomers8 compounds with formula C₅H₆O₅
2-oxopentanedioic acid
CID 51 · 146.1 g/mol
3-oxopentanedioic acid
CID 68328 · 146.1 g/mol
hydron;2-oxopentanedioate
CID 156274072 · 146.1 g/mol
(2S)-2-hydroxypentanedioate
CID 5460355 · 146.1 g/mol
(2R)-2-hydroxypentanedioate
CID 5460200 · 146.1 g/mol
(2R)-2-hydroxy-2-methylbutanedioate
CID 5460281 · 146.1 g/mol
(2S)-3,4-dihydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 117669210 · 146.1 g/mol
2-hydroxy-2-methylbutanedioate
CID 4377441 · 146.1 g/mol