keto-D-Lyx2ulo-onic , CAS No.16722-49-9

CAS: 16722-49-9 Cat. No.: K951821 Numero EC: 627-666-0 PubChem CID: 6337064

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C(C(C(C(C(=O)C(=O)O)O)O)O)O

IUPAC Name

(3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid

InChIKey

VBUYCZFBVCCYFD-UZBSEBFBSA-N

INCHI

1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3+,4+/m1/s1

Isomeri SMILES

C([C@H]([C@@H]([C@@H](C(=O)C(=O)O)O)O)O)O

CAS alternativo

342385-52-8

PubChem CID

6337064

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Hexoses Medium-chain keto acids and derivatives Beta hydroxy acids and derivatives Beta-hydroxy ketones Alpha-keto acids and derivatives Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - Medium-chain keto acid - Beta-hydroxy acid - Sugar acid - Acyloin - Alpha-keto acid - Beta-hydroxy ketone - Hydroxy acid - Keto acid - Monosaccharide - Alpha-hydroxy ketone - Ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 194.140 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 194.043 Da
• Monoisotopic Mass: 194.043 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 201.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 16722-49-9. InChIKey VBUYCZFBVCCYFD-UZBSEBFBSA-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.