Basic information
- CAS
3913-64-2- Standard SMILES
C[C@H](O)C=O- InChIKey
BSABBBMNWQWLLU-VKHMYHEASA-N- Molecular formula
- C3H6O2
- Average molar mass
- 74.08 g/mol
- Monoisotopic mass
- 74.03677943
Overview
(S)-lactaldehyde is a lactaldehyde. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is an enantiomer of a (R)-lactaldehyde.
Names & identifiers
- Preferred name
- Propanal, 2-hydroxy-, (2S)-
- IUPAC
- (2S)-2-hydroxypropanal
- English name
- [S,(+)]-2-Hydroxypropionaldehyde
- Molecular formula
- C3H6O2
- Molecular weight
- 74.08
Names & synonyms
(S)-lactaldehydeL-2-Hydroxypropionaldehyde3913-64-2Propanal, 2-hydroxy-, (2S)-CHEBI:18041DTXSID301310823RefChem:1096676DTXCID001740661L-lactaldehyde(2S)-2-hydroxypropanalLactaldehyde, L-(2S)-Hydroxypropanal
Show more names
(+)-L-Lactaldehyde2(S)-hydroxypropanal(S)-2-HydroxypropanalL-Lactaldehyde solutionPropanal, 2-hydroxy-, (2S)- (9CI)L-Lactaldehyde solution 1 M in H2O
Lactaldehyde, (-)-UNII-BS76EN9C35C00424lactald(+-)-2-HydroxypropanalAlpha-hydroxypropionaldehyde[S,(+)]-2-HydroxypropionaldehydeSCHEMBL289821
Database identifiers
- CAS
3913-64-2、598-35-6- PubChem CID
- 439231
- DTXSID
DTXSID301310823- ChEBI
CHEBI:18041- UNII
- BS76EN9C35
- Nikkaji
- J2.582H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 33.9
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 121.9 · 121.9±23.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 13.41 · 13.41±0.20(Predicted)
- InChI
- 1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1
- InChIKey
- BSABBBMNWQWLLU-VKHMYHEASA-N
- SMILES
- C[C@H](O)C([H])=O
- FDA UNII
- 76 EN9C35 · BS76EN9C35
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 25 · NA.25
- WGK Germany
- 3 · WGK 3
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite PathwaysPyruvate metabolism
Suppliers2 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
Additional notes
DefinitionChEBI: (S)-lactaldehyde is a lactaldehyde. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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