D-Glucaro-1,4-lactone
C₆H₈O₇·192.120 g/mol·CID 122306
IUPAC: (2S)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid
Also known as: saccharolactone, 1,4-Glucarolactone, 1,4-D-Glucarolactone, 5027-63-4, (2S)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
192.120g/mol
Exact Mass
192.027003Da
Monoisotopic Mass
192.027003Da
XLogP
-1.8
Polar Surface Area
124.0Ų
Complexity
237
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
7
Rotatable Bonds
2
Heavy Atoms
13
Stereo Centers
4
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 192.1 g/mol
MW ≤ 500
✓ -1.8
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 7
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
Isomers8 compounds with formula C₆H₈O₇
2-hydroxypropane-1,2,3-tricarboxylic acid
CID 311 · 192.1 g/mol
1-hydroxypropane-1,2,3-tricarboxylic acid
CID 1198 · 192.1 g/mol
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
CID 5318532 · 192.1 g/mol
hydron;2-hydroxypropane-1,2,3-tricarboxylate
CID 19782904 · 192.1 g/mol
2-(carboxymethyl)-2-hydroxybutanedioate;hydron
CID 88113319 · 192.1 g/mol
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxane-2-carboxylic acid
CID 46926211 · 192.1 g/mol
(3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoic acid
CID 102287 · 192.1 g/mol
(2R,3S)-2,3-dihydroxy-5-oxohexanedioic acid
CID 439290 · 192.1 g/mol