tris(2-amino-3,4,5,6-tetrahydroxyhexanal)

• ChemBase ID: 103590
• Molecular Formular: C18H39N3O15
• Molecular Mass: 537.51336
• Monoisotopic Mass: 537.23811756
• SMILES: NC(C=O)C(O)C(O)C(O)CO.NC(C=O)C(O)C(O)C(O)CO.NC(C=O)C(O)C(O)C(O)CO
• Canonical SMILES: OCC(C(C(C(C=O)N)O)O)O.OCC(C(C(C(C=O)N)O)O)O.OCC(C(C(C(C=O)N)O)O)O
• InChI: InChI=1S/3C6H13NO5/c3*7-3(1-8)5(11)6(12)4(10)2-9/h3*1,3-6,9-12H,2,7H2
• InChIKey: PBNNVOMZUCFHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-amino-3,4,5,6-tetrahydroxyhexanal)
• IUPAC Traditional name: tris(glucosamine)
• Synonyms: Galactosamino-trimer; GOS-3

Database IDs

• PubChem SID: 162105820
• PubChem CID: 44134747

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: 39.003098 cm^3
• Polarizability: 16.05734 Å^3
• Polar Surface Area: 124.01 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02152374

Suitable for use as both TLC and HPLC standards.