Invertose - ≥99%, sum of mixture , CAS No.8013-17-0

CAS: 8013-17-0 Cat. No.: I304685 Molecular Weight: 360.31 EC Number: 232-393-1 PubChem CID: 21924868

GRADE & PURITY ≥99%, sum of mixture

Synonyms

Sugar,invert | 2,3,4,5,6-pentahydroxyhexanal compound with 1,3,4,5,6-pentahydroxyhexan-2-one (1:1) | 2,3,4,5,6-pentahydroxyhexanal;1,3,4,5,6-pentahydroxyhexan-2-one | INVERT SUGAR | Invertose , | Invertose | HS 500 | SCHEMBL20361633

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

Sugar, invert | 2, 3, 4, 5, 6-pentahydroxyhexanal compound with 1, 3, 4, 5, 6-pentahydroxyhexan-2-one (1:1) | 2, 3, 4, 5, 6-pentahydroxyhexanal;1, 3, 4, 5, 6-pentahydroxyhexan-2-one | INVERT SUGAR | Invertose , | Invertose | HS 500 | SCHEMBL20361633

Specifications & Purity

≥99%, sum of mixture

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199974
• Canonical Smiles: C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(=O)CO)O)O)O)O
• IUPAC Name: 2,3,4,5,6-pentahydroxyhexanal;1,3,4,5,6-pentahydroxyhexan-2-one
• InChIKey: PJVXUVWGSCCGHT-UHFFFAOYSA-N
• INCHI: 1S/2C6H12O6/c2*7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2;1,3-6,8-12H,2H2
• Isomeric SMILES: C(C(C(C(C(C=O)O)O)O)O)O.C(C(C(C(C(=O)CO)O)O)O)O
• PubChem CID: 21924868
• Molecular Weight: 360.31

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: Medium-chain aldehydes Beta-hydroxy aldehydes Alpha-hydroxyaldehydes Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Hexose monosaccharide - Medium-chain aldehyde - Beta-hydroxy aldehyde - Alpha-hydroxyaldehyde - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Aldehyde - 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: 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

• Sensitivity: Hygroscopic
• Specific Rotation[α]: -20° (C=5,H2O)
• Molecular Weight: 360.310 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 360.127 Da
• Monoisotopic Mass: 360.127 Da
• Topological Polar Surface Area: 236.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 7
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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