sodium (2S)-2-hydroxypropanoate

• ChemBase ID: 102240
• Molecular Formular: C3H5NaO3
• Molecular Mass: 112.05977
• Monoisotopic Mass: 112.0136383
• SMILES: [Na+].C[C@H](O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[C@@H](O)C.[Na+]
• InChI: InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1
• InChIKey: NGSFWBMYFKHRBD-DKWTVANSSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (2S)-2-hydroxypropanoate
• IUPAC Traditional name: sodium L-lactate; sodium L-(+)-lactate
• Synonyms: (S)-2-Hydroxypropionic acid sodium salt; L-Lactic acid sodium salt; Sarcolactic acid sodium salt; Sodium L-lactate; (S)-2-Hydroxypropanoic acid monosodium salt; L-(+)-LACTIC ACID SODIUM SALT, 40% SOLUTION; (S)-2-羟基丙酸 钠盐; L-乳酸 钠盐; 肌乳酸 钠盐; L-乳酸钠

Database IDs

• CAS Number: 867-56-1
• EC Number: 212-762-3
• MDL Number: MFCD00066576
• Beilstein Number: 4567087
• PubChem SID: 24886257; 162089270
• PubChem CID: 23664767

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163-165 °C(lit.); 163-165°C; ca 160°C
• Optical Rotation: [α]20/D -12.5±0.5°, c = 1% in H2O; [α]20/D -12°, c = 1 in H2O; -12 (c=5 in water)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: R:36/37/38
• Safety Statements: S:26-36
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (NT); 98+%; 99%
• Optical Purity: enantiomeric ratio: ≥99:1 (enzymatic)
• Impurities: ≤1% water
• Empirical Formula (Hill Notation): C3H5NaO3

DETAILS

MP Biomedicals - 02100779

Sodium Salt
40% Solution by weight

Sigma Aldrich - 71718

Packaging
10, 50 g in glass bottle