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

• ChemBase ID: 102452
• 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-NQZVPSPJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal hydrochloride
• IUPAC Traditional name: D-galactosamine hydrochloride
• Synonyms: Chondrosamine hydrochloride; 2-Amino-2-deoxy-D-galactopyranose hydrochloride; D-(+)-GALACTOSAMINE HYDROCHLORIDE; D-Chondrosamine hydrochloride; D-(+)-Galactosamine hydrochloride

Database IDs

• CAS Number: 1772-03-8
• EC Number: 217-198-1
• MDL Number: MFCD00135830
• Beilstein Number: 3697825
• PubChem SID: 24894912; 24895072; 162088108
• PubChem CID: 74493

CALCULATED PROPERTIES

• Acid pKa: 12.684953
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -5.0441923
• LogD (pH = 7.4): -3.7855585
• 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: 182-185°C (dec.)

Safety Information

• Storage Condition: 2-8°C
• RTECS: LW5500000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; 99%
• Suitability: suitable for cell culture
• Impurities: ≤0.5% Glucosamine (HPAE); Glucosamine, essentially free

DETAILS

MP Biomedicals - 02101743

Crystalline
Purity: 99%

Sigma Aldrich - G0500

包装
10 mg in autosmp vl
5, 25 g in poly bottle

Sigma Aldrich - G0264

Linkage
Similar to G 0500, but produced by Sigma.