beta-D-Glucose 6-phosphate sodium salt - ≥98% , CAS No.84332-92-3

CAS: 84332-92-3 Cat. No.: B942801 Molecular Weight: 282.120 EC Number: 282-721-2

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)[O-].[Na+]
• IUPAC Name: sodium;[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
• InChIKey: ZALKNDISPIVVKC-WYRLRVFGSA-M
• INCHI: 1S/C6H13O9P.Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
• Molecular Weight: 282.120

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses
            • Level7 Hexose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Hexoses
• Direct Parent: Hexose phosphates
• Alternative Parents: Monosaccharide phosphates Oxanes Alkyl phosphates Secondary alcohols Hemiacetals 1,2-diols Oxacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose phosphate - Monosaccharide phosphate - Organic phosphoric acid derivative - Oxane - Phosphoric acid ester - Alkyl phosphate - 1,2-diol - Hemiacetal - Secondary alcohol - Polyol - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Alcohol - Organic salt - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
• External Descriptors: Not available

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

• Molecular Weight: 282.120 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 282.012 Da
• Monoisotopic Mass: 282.012 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 2

XLogP3