(2S,4S,5S)-2-amino-6-methyloxane-3,4,5-triol

• ChemBase ID: 169487
• Molecular Formular: C6H13NO4
• Molecular Mass: 163.17172
• Monoisotopic Mass: 163.0844579
• SMILES: C1([C@H]([C@H](C([C@H](O1)N)O)O)O)C
• Canonical SMILES: O[C@@H]1C(C)O[C@@H](C([C@@H]1O)O)N
• InChI: InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2?,3-,4+,5?,6+/m1/s1
• InChIKey: UTVXFQMLZSPQLB-KYKSVUQTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,4S,5S)-2-amino-6-methyloxane-3,4,5-triol
• IUPAC Traditional name: (2S,4S,5S)-2-amino-6-methyloxane-3,4,5-triol
• Synonyms: 1-Amino-1,6-dideoxy-L-galactose; 1-Amino-1-deoxy-L-fucose; 6-Deoxy-a-L-galactopyranosylamine; L-Fucosylamine; β-L-Fucopyranosylamine

Database IDs

• CAS Number: 103419-79-0
• PubChem SID: 162263619
• PubChem CID: 71317001

CALCULATED PROPERTIES

• Acid pKa: 12.481976
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -4.1327763
• LogD (pH = 7.4): -2.4659061
• Log P: -1.992511
• Molar Refractivity: 36.0372 cm^3
• Polarizability: 15.257229 Å^3
• Polar Surface Area: 95.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White Solid

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere