(3R,4R)-3,4-dihydroxyoxolan-2-one
C₄H₆O₄·118.090 g/mol·CID 5325915
Also known as: erythrono-1,4-lactone, CHEBI:87625, RefChem:937935, GlyTouCan:G37923KE, G37923KE (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
118.090g/mol
Exact Mass
118.026609Da
Monoisotopic Mass
118.026609Da
XLogP
-1.3
Polar Surface Area
66.8Ų
Complexity
111
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
0
Heavy Atoms
8
Stereo Centers
2
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 118.1 g/mol
MW ≤ 500
✓ -1.3
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1
Isomers8 compounds with formula C₄H₆O₄
butanedioic acid
CID 1110 · 118.1 g/mol
2-methylpropanedioic acid
CID 487 · 118.1 g/mol
2-formyloxyethyl formate
CID 12376 · 118.1 g/mol
dimethyl oxalate
CID 11120 · 118.1 g/mol
acetyl ethaneperoxoate
CID 8040 · 118.1 g/mol
4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 97944 · 118.1 g/mol
2,2,3,3-tetradeuteriobutanedioic acid
CID 12998487 · 122.1 g/mol
2-acetyloxyacetic acid
CID 83766 · 118.1 g/mol