Ferric 1-glycerophosphate - ≥95% , CAS No.1301-70-8

CAS: 1301-70-8 Cat. No.: F978812 EC Number: 215-097-7 PubChem CID: 14208876

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C(C(COP(=O)([O-])[O-])O)O.C(C(COP(=O)([O-])[O-])O)O.C(C(COP(=O)([O-])[O-])O)O.[Fe+3].[Fe+3]
• IUPAC Name: 2,3-dihydroxypropyl phosphate;iron(3+)
• InChIKey: AORRAZSRUFKDBZ-UHFFFAOYSA-H
• INCHI: 1S/3C3H9O6P.2Fe/c3*4-1-3(5)2-9-10(6,7)8;;/h3*3-5H,1-2H2,(H2,6,7,8);;/q;;;2*+3/p-6
• Isomeric SMILES: C(C(COP(=O)([O-])[O-])O)O.C(C(COP(=O)([O-])[O-])O)O.C(C(COP(=O)([O-])[O-])O)O.[Fe+3].[Fe+3]
• Alternate CAS: 38455-91-3,1301-70-8
• PubChem CID: 14208876

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerophospholipids
      • Subclass Glycerophosphates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerophospholipids
• Subclass: Glycerophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycerophosphates
• Alternative Parents: Alkyl phosphates Secondary alcohols 1,2-diols Organic transition metal salts Primary alcohols Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Sn-glycerol-3-phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - 1,2-diol - Secondary alcohol - Organic transition metal salt - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as glycerophosphates. These are compounds containing a glycerol linked to a phosphate 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

Chemical and Physical Properties

• Molecular Weight: 621.860 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 9
• Exact Mass: 621.864 Da
• Monoisotopic Mass: 621.864 Da
• Topological Polar Surface Area: 339.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3