Pseudouridine-5′-triphosphate Sodium Salt - ≥97%, 100mM in water , CAS No.1175-34-4

CAS: 1175-34-4 Cat. No.: P331687 Molecular Weight: 550.09 PubChem CID: 20762852

GRADE & PURITY ≥97%, 100mM in water

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥97%, 100mM in water

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768939
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768939
• Canonical Smiles: C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
• IUPAC Name: [[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• InChIKey: VEWJOCYCKIZKKV-GBNDHIKLSA-N
• INCHI: 1S/C9H15N2O15P3/c12-5-4(2-23-28(19,20)26-29(21,22)25-27(16,17)18)24-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H,19,20)(H,21,22)(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
• PubChem CID: 20762852
• Molecular Weight: 550.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses
            • Level7 Pentose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Pentoses
• Direct Parent: Pentose phosphates
• Alternative Parents: Nucleoside and nucleotide analogues C-glycosyl compounds Monosaccharide phosphates Monoalkyl phosphates Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Oxolanes 1,2-diols Secondary alcohols Lactams Ureas Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pentose phosphate - Pentose-5-phosphate - C-glycosyl compound - Glycosyl compound - Monosaccharide phosphate - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Vinylogous amide - Oxolane - Heteroaromatic compound - Urea - Secondary alcohol - 1,2-diol - Lactam - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
• 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: 484.140 g/mol
• XLogP3: -6.600
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 483.969 Da
• Monoisotopic Mass: 483.969 Da
• Topological Polar Surface Area: 268.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 852.000
• 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