2,3,4,5,6-pentahydroxyhexanamide

• ChemBase ID: 109145
• Molecular Formular: C6H13NO6
• Molecular Mass: 195.17052
• Monoisotopic Mass: 195.07428714
• SMILES: NC(=O)C(O)C(O)C(O)C(O)CO
• Canonical SMILES: OCC(C(C(C(C(=O)N)O)O)O)O
• InChI: InChI=1S/C6H13NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2,(H2,7,13)
• InChIKey: JCZPMGDSEAFWDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,5,6-pentahydroxyhexanamide
• IUPAC Traditional name: 2,3,4,5,6-pentahydroxyhexanamide
• Synonyms: D-MANNONICAMIDE

Database IDs

• CAS Number: 7256-14-6
• PubChem SID: 162095044
• PubChem CID: 219903

CALCULATED PROPERTIES

• Acid pKa: 12.008659
• H Acceptors: 6
• H Donor: 6
• LogD (pH = 5.5): -4.216687
• LogD (pH = 7.4): -4.2166977
• Log P: -4.2166867
• Molar Refractivity: 40.0932 cm^3
• Polarizability: 16.42629 Å^3
• Polar Surface Area: 144.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05209998

MP Biomedicals Rare Chemical collection