(2S)-2-amino-3-hydroxypropanoic acid

• ChemBase ID: 139375
• Molecular Formular: C3H7NO3
• Molecular Mass: 106.0859889
• Monoisotopic Mass: 106.03962798
• SMILES: C([C@@H](C(=O)O)[15NH2])O
• Canonical SMILES: OC[C@@H](C(=O)O)[15NH2]
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i4+1
• InChIKey: MTCFGRXMJLQNBG-GZPBOPPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-hydroxypropanoic acid
• IUPAC Traditional name: L-serine
• Synonyms: L-Serine-15N

Database IDs

• MDL Number: MFCD00144672
• PubChem SID: 162233623; 24882006
• PubChem CID: 12219636

CALCULATED PROPERTIES

• Acid pKa: 2.03399
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8875728
• LogD (pH = 7.4): -3.8992038
• Log P: -3.8877351
• Molar Refractivity: 22.041 cm^3
• Polarizability: 9.0643015 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 °C (dec.)(lit.)
• Optical Rotation: [α]25/D +14.6°, c = 2 in 1 M HCl
• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 106.07 by atom % calculation
• Linear Formula: HOCH2CH(15NH2)CO2H

DETAILS

Sigma Aldrich - 609005

Packaging
500 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.