Triose phosphate - ≥97%, 10mg/mL solution in water , CAS No.591-57-1

CAS: 591-57-1 Cat. No.: T697696 分子式: C₃H₇O₆P 分子量: 170.06

GRADE & PURITY ≥97%, 10mg/mL solution in water

Storage

Room temperature

Specifications

仕様と純度

≥97%, 10mg/mL solution in water

保管条件

Room temperature

純度

≥97%

名前と識別子

• カノニカル・スマイル: C(C(C=O)O)OP(=O)(O)O
• IUPAC Name: [(2R)-2-hydroxy-3-oxopropyl] dihydrogen phosphate
• InChIKey: LXJXRIRHZLFYRP-VKHMYHEASA-N
• INCHI: 1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
• 異性体SMILES: C([C@H](C=O)O)OP(=O)(O)O
• 分子量: 170.06
• Reaxy-Rn: 1725008
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Monosaccharide phosphates
            • Level7 Glyceraldehyde-3-phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Monosaccharide phosphates
• Direct Parent: Glyceraldehyde-3-phosphates
• Alternative Parents: Monoalkyl phosphates Alpha-hydroxyaldehydes Secondary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glyceraldehyde-3-phosphate - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha-hydroxyaldehyde - Secondary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aldehyde - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as glyceraldehyde-3-phosphates. These are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group.
• External Descriptors: glyceraldehyde 3-phosphate

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 170.060 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 169.998 Da
• Monoisotopic Mass: 169.998 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% 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 591-57-1, the molecular formula is C3H7O6P, and the molecular weight is 170.06 g/mol. InChIKey LXJXRIRHZLFYRP-VKHMYHEASA-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.