Basic information
- CAS
205386-39-6- Standard SMILES
CC(=O)[C@](C)(O)[C@@H](C)O- InChIKey
ORDWYJFZZDWBFL-INEUFUBQSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
Names & identifiers
- Preferred name
- 3R,4R-Acetylbutanediol
- IUPAC
- (3R,4R)-3,4-dihydroxy-3-methylpentan-2-one
- English name
- D-erythro-2-Pentulose, 1,5-dideoxy-3-C-methyl- (9CI)
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
3R,4R-Acetylbutanediol(3r,4r)-3,4-dihydroxy-3-methyl-2-pentanoneD-erythro-2-Pentulose, 1,5-dideoxy-3-C-methyl-D-erythro-2-Pentulose, 1,5-dideoxy-3-C-methyl- (9CI)
Database identifiers
- CAS
205386-39-6- Nikkaji
- J3.590.178G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…