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

• ChemBase ID: 105833
• Molecular Formular: C6H14ClNO5
• Molecular Mass: 215.63206
• Monoisotopic Mass: 215.05605023
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O.Cl
• Canonical SMILES: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)N.Cl
• InChI: InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6-;/m1./s1
• InChIKey: QKPLRMLTKYXDST-OCOFDJSDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
• IUPAC Traditional name: glucosamine hydrochloride
• Synonyms: D-GLUCOSAMINE HYDROCHLORIDE; 2-Amino-2-deoxy-D-glucose; Chitosamine; D-(+)-GLUCOSAMINE HYDROCHLORIDE; (2-Amino-D-glucose Hydrochloride); D-(+)-GLUCOSAMINE HYDROCHLORIDE, USP

Database IDs

• CAS Number: 66-84-2
• EC Number: 200-638-1
• PubChem SID: 162093875
• PubChem CID: 9859210

CALCULATED PROPERTIES

• Acid pKa: 11.726975
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -5.5965767
• LogD (pH = 7.4): -3.9292529
• 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

PROPERTIES

Physical Property

• Melting Point: 194°C

Safety Information

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

Product Information

• Purity: ≥98%; 99%
• Grade: USP

DETAILS

MP Biomedicals - 02199893

Hydrochloride
Source: Vegetable
Purity: ≥98%
Off-white Crystalline

MP Biomedicals - 02194671

Cell Culture Reagent
Purity: 99%
Hydrochloride

MP Biomedicals - 05212216

MP Biomedicals Rare Chemical collection