methyl (2R)-2-amino-3-hydroxypropanoate hydrochloride

• ChemBase ID: 69489
• Molecular Formular: C4H10ClNO3
• Molecular Mass: 155.5801
• Monoisotopic Mass: 155.03492087
• SMILES: C(=O)([C@H](N)CO)OC.Cl
• Canonical SMILES: COC(=O)[C@@H](CO)N.Cl
• InChI: InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m1./s1
• InChIKey: NDBQJIBNNUJNHA-AENDTGMFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-amino-3-hydroxypropanoate hydrochloride
• IUPAC Traditional name: methyl (2R)-2-amino-3-hydroxypropanoate hydrochloride
• Synonyms: D-Serine methyl ester hydrochloride; (R)-Methyl 2-amino-3-hydroxypropanoate hydrochloride; D-Serine methyl ester hydrochloride; (R)-2-Amino-3-hydroxypropionic Acid Methyl Ester Hydrochloride; (R)-Methyl 2-Amino-3-hydroxypropanoate Hydrochloride; Methyl D-Serinate Hydrochloride; D-丝氨酸甲酯 盐酸盐

Database IDs

• CAS Number: 5874-57-7
• MDL Number: MFCD00066121
• PubChem SID: 162035215; 24868202
• PubChem CID: 11446470

CALCULATED PROPERTIES

• Acid pKa: 14.880805
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8088803
• LogD (pH = 7.4): -1.5804076
• Log P: -1.4797273
• Molar Refractivity: 26.8101 cm^3
• Polarizability: 11.100558 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethanol; Methanol,
• Apperance: White Solid
• Melting Point: 160-162°C; 163-166 °C(lit.)
• Optical Rotation: [α]20/D -4°, c = 4 in ethanol

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%
• Linear Formula: HOCH2CH(NH2)CO2CH3·HCl

DETAILS

Sigma Aldrich - 445797

Packaging
5, 25 g in glass bottle