(2R)-2-hydroxypropanoic acid

• ChemBase ID: 2769
• Molecular Formular: C3H6O3
• Molecular Mass: 90.07794
• Monoisotopic Mass: 90.03169405
• SMILES: C[C@@H](O)C(=O)O
• Canonical SMILES: OC(=O)[C@H](O)C
• InChI: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
• InChIKey: JVTAAEKCZFNVCJ-UWTATZPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-hydroxypropanoic acid
• IUPAC Traditional name: @D-lactic acid; D-lactic acid
• Synonyms: D-Lactic Acid; D-(-)-Lactic acid; (S)-2-Hydroxypropionic acid; L-Lactic acid, anhydrous; Lactic Acid; (R)-2-羟基丙酸; L-乳酸, 无水

Database IDs

• CAS Number: 79-33-4; 10326-41-7; 50-21-5
• EC Number: 233-713-2; 201-196-2
• MDL Number: MFCD00064266; MFCD00068311
• Beilstein Number: 1720251; 1720252
• Merck Index: 145337
• PubChem SID: 160966217; 46505582; 24896259; 46505962
• PubChem CID: 61503

CALCULATED PROPERTIES

JChem

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 18.8398 cm^3
• Polarizability: 7.546188 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.79
• LOG S: 0.79
• Solubility (Water): 5.62e+02 g/l

PROPERTIES

Physical Property

• Melting Point: 52-54°C
• Boiling Point: 119°C/12mm
• Flash Point: >110°C(230°F)
• Density: 1.22

Safety Information

• Storage Warning: Hygroscopic
• RTECS: OD3100000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38-41
• Safety Statements: 26-37/39; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318; H318-H315
• GHS Precautionary statements: P280B-P305+P351+P338-P337+P313; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: 93-107%; 98%

DETAILS

DrugBank - DB03066

• Drug Groups: experimental
• Description: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)

DrugBank - DB04398

• Drug Groups: experimental
• Description: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)
• External Links: Drugs.com

Sigma Aldrich - L0625

Analysis Note
Assayed enzymatically using D(-)lactic dehydrogenase
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. L0625.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.