(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

• ChemBase ID: 312847
• Molecular Formular: C7H17NO5
• Molecular Mass: 195.21358
• Monoisotopic Mass: 195.11067265
• SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• Canonical SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• InChI: InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
• InChIKey: MBBZMMPHUWSWHV-BDVNFPICSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
• IUPAC Traditional name: N-methyl-D(-)-glucamine
• Synonyms: Meglumine

Database IDs

• CAS Number: 6284-40-8

CALCULATED PROPERTIES

• Acid pKa: 12.649772
• H Acceptors: 6
• H Donor: 6
• LogD (pH = 5.5): -6.4926486
• LogD (pH = 7.4): -5.11365
• Log P: -3.4043202
• Molar Refractivity: 44.8357 cm^3
• Polarizability: 18.39889 Å^3
• Polar Surface Area: 113.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base