(2R,3S)-2-amino-N,3-dihydroxybutanamide

• ChemBase ID: 131401
• Molecular Formular: C4H10N2O3
• Molecular Mass: 134.1338
• Monoisotopic Mass: 134.06914219
• SMILES: C[C@@H]([C@H](C(=O)NO)N)O
• Canonical SMILES: ONC(=O)[C@@H]([C@@H](O)C)N
• InChI: InChI=1S/C4H10N2O3/c1-2(7)3(5)4(8)6-9/h2-3,7,9H,5H2,1H3,(H,6,8)/t2-,3+/m0/s1
• InChIKey: GDHYTCIGBOOCDX-STHAYSLISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2-amino-N,3-dihydroxybutanamide
• IUPAC Traditional name: (2R,3S)-2-amino-N,3-dihydroxybutanamide
• Synonyms: DL-Threonine hydroxamate

Database IDs

• CAS Number: 36207-45-1
• MDL Number: MFCD00057721
• PubChem SID: 162225679; 24900393
• PubChem CID: 16220045

CALCULATED PROPERTIES

• Acid pKa: 8.769022
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.030598
• LogD (pH = 7.4): -2.4339907
• Log P: -2.246753
• Molar Refractivity: 30.0466 cm^3
• Polarizability: 12.203446 Å^3
• Polar Surface Area: 95.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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