[Synonyms]
2,3-dihydroxy-3-methylvalerate
2,3-dihydroxy-3-methylpentanoate
1-KETO-2-METHYLVALERATE
(R)-2,3-Dihydroxy-3-methylvalerate
2,3-Dihydroxy-3-Methyl-Valeric acid
2,3-Dihydroxy-3-methylpentanoic acid
2,3-DIHYDROXY-VALERIANIC ACID
pentonic acid, 4,5-dideoxy-3-C-methyl-
(R)-2,3-Dihydroxy-3-methylpentanoate
DB03675
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydroxy-3-methylpentanoic acid
Canonical SMILES: CCC(C)(C(C(=O)O)O)O
InChI: InChI=1/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/f/h8H
2,3-dihydroxy-3-methylvalerate
2,3-dihydroxy-3-methylpentanoate
1-KETO-2-METHYLVALERATE
(R)-2,3-Dihydroxy-3-methylvalerate
2,3-Dihydroxy-3-Methyl-Valeric acid
2,3-Dihydroxy-3-methylpentanoic acid
2,3-DIHYDROXY-VALERIANIC ACID
pentonic acid, 4,5-dideoxy-3-C-methyl-
(R)-2,3-Dihydroxy-3-methylpentanoate
DB03675
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 148.15708 [g/mol] |
| Molecular Formula | C6H12O4 |
| XLogP | -0.5 |
| H-Bond Donor | 3 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 148.073559 |
| MonoIsotopic Mass | 148.073559 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 134 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 2 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 2,3-dihydroxy-3-methylpentanoic acid
Canonical SMILES: CCC(C)(C(C(=O)O)O)O
InChI: InChI=1/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/f/h8H
