(2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal hydrochloride

• ChemBase ID: 102459
• Molecular Formular: C6H14ClNO5
• Molecular Mass: 215.63206
• Monoisotopic Mass: 215.05605023
• SMILES: Cl.O=C[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
• Canonical SMILES: OC[C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O.Cl
• InChI: InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1
• InChIKey: CBOJBBMQJBVCMW-BTVCFUMJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal hydrochloride
• IUPAC Traditional name: 2-amino-2-deoxy-D-glucose hydrochloride; glucosamine sulfate hydrochloride
• Synonyms: 2-Amino-2-deoxy-D-glucose hydrochloride; Chitosamine hydrochloride; D-(+)-GLUCOSAMINE HYDROCHLORIDE; D-Glucosamine hydrochloride; D-葡糖胺盐酸盐

Database IDs

• CAS Number: 66-84-2
• EC Number: 200-638-1
• MDL Number: MFCD00067674
• Beilstein Number: 4157370
• Merck Index: 144458
• PubChem SID: 162089914
• PubChem CID: 91431

CALCULATED PROPERTIES

• Acid pKa: 12.77282
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -5.044167
• LogD (pH = 7.4): -3.7850635
• Log P: -3.6752424
• Molar Refractivity: 39.0031 cm^3
• Polarizability: 16.05734 Å^3
• Polar Surface Area: 124.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194°C; ca 192°C dec.
• Optical Rotation: +71.5 (c=1 in water, 20h)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LZ6665000
• TSCA Listed: 是

Product Information

• Purity: 98+%; 99%

DETAILS

MP Biomedicals - 02101782

Hydrochloride
Purity: 99%
Crystalline