(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

• ChemBase ID: 127511
• Molecular Formular: C6H13NO5
• Molecular Mass: 179.17112
• Monoisotopic Mass: 179.07937252
• SMILES: O[C@H]1[C@@H](O)[C@H](OC(O)[C@@H]1N)CO
• Canonical SMILES: OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)N
• InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1
• InChIKey: MSWZFWKMSRAUBD-GASJEMHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
• IUPAC Traditional name: galactosamine
• Synonyms: α-D-galactosamine; Galactosamine

Database IDs

• CAS Number: 7535-00-4
• PubChem SID: 162221830
• PubChem CID: 24154
• CHEBI ID: 60312
• CHEMBL: 207280
• Chemspider ID: 22576
• Wikipedia Title: Galactosamine

CALCULATED PROPERTIES

• Log P: -3.039421
• Molar Refractivity: 37.5809 cm^3
• Polarizability: 15.959335 Å^3
• Polar Surface Area: 116.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 11.726975
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -5.5965767
• LogD (pH = 7.4): -3.9292529

PROPERTIES

Physical Property

• Melting Point: 180 °C (HCl salt)