Meglumine - PharmPure™,USP , CAS No.6284-40-8

CAS: 6284-40-8 Cat. No.: M774662 Molecular Weight: 195.21 Beilstein Registry Number: 385906 EC Number: 228-506-9

GRADE & PURITY PharmPure™, USP

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Specifications & Purity

PharmPure™, USP

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Grade

PharmPure™, USP

Names and Identifiers

• Canonical Smiles: CNCC(C(C(C(CO)O)O)O)O
• IUPAC Name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
• InChIKey: MBBZMMPHUWSWHV-BDVNFPICSA-N
• 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
• Isomeric SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• WGK Germany: 3
• Alternate CAS: 90191-92-7
• Molecular Weight: 195.21
• Beilstein: 385906
• Reaxy-Rn: 2324336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: 1,3-aminoalcohols Secondary alcohols 1,2-aminoalcohols Polyols Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - 1,3-aminoalcohol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Polyol - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: secondary amino compound - hexosamine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive， Light sensitive，Air sensitive
• Specific Rotation[α]: -16.5 ° (C=2, H2O)
• Boil Point(°C): 210 °C/1013 hPa
• Melt Point(°C): 129-131.5 °C (lit.)
• Molecular Weight: 195.210 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 195.111 Da
• Monoisotopic Mass: 195.111 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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