D-Mannoheptulose - ≥98% , CAS No.3615-44-9

CAS: 3615-44-9 Cat. No.: D693510 Fórmula: C₇H₁₄O₇ Peso molecular: 210.18 Beilstein Registry Number: 1726433 Número CE: 222-795-5 PubChem CID: 12600

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥98%

Propriedades do produto

• pKa: pKa: 11.38 (Predicted)

Nomes e identificadores

• Sorrisos canónicos: C(C(C(C(C(C(=O)CO)O)O)O)O)O
• IUPAC Name: (3S,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one
• InChIKey: HSNZZMHEPUFJNZ-QMTIVRBISA-N
• INCHI: 1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1
• SMILES isoméricas: C([C@H]([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O)O
• WGK Alemanha: 2
• PubChem CID: 12600
• Peso molecular: 210.18
• Beilstein: 1726433

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Heptoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Heptoses
• Alternative Parents: Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Heptose monosaccharide - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as heptoses. These are monosaccharides in which the sugar unit is a seven-carbon containing moeity.
• External Descriptors: D-manno-heptulose

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

Propriedades químicas e físicas

• Índice de refração: n20D1.64 (Predicted)
• Ponto de ebulição (°C): ~471.7° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 148-150° C
• Peso molecular: 210.180 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 210.074 Da
• Monoisotopic Mass: 210.074 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3615-44-9, the molecular formula is C7H14O7, and the molecular weight is 210.18 g/mol. InChIKey HSNZZMHEPUFJNZ-QMTIVRBISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.