Inosine-5'-diphosphate disodium salt - ≥95% , CAS No.54735-61-4

CAS: 54735-61-4 Cat. No.: I122984 Molecular Weight: 472.15 EC Number: 259-312-2 PubChem CID: 135742688

GRADE & PURITY ≥95%

Synonyms

HG1385 | Inosine-5-diphosphoricaciddisodiumsalt | AKOS016009838 | Inosine-5'-diphosphate disodium salt | Disodium 5'-O-{[(hydroxyphosphinato)oxy]phosphinato}inosine | disodium;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

HG1385 | Inosine-5-diphosphoricaciddisodiumsalt | AKOS016009838 | Inosine-5'-diphosphate disodium salt | Disodium 5'-O-{[(hydroxyphosphinato)oxy]phosphinato}inosine | disodium;[[(2R, 3S, 4R, 5R)-3, 4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidop

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 504773432
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773432
• Canonical Smiles: C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
• IUPAC Name: disodium;[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
• InChIKey: MYSOKTVZCUBKOZ-IDIVVRGQSA-L
• INCHI: 1S/C10H14N4O11P2.2Na/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
• Isomeric SMILES: C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]
• PubChem CID: 135742688
• Molecular Weight: 472.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleotides
      • Subclass Purine ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleotides
• Subclass: Purine ribonucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine ribonucleoside diphosphates
• Alternative Parents: Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines 6-oxopurines Hypoxanthines Monosaccharide phosphates Organic pyrophosphates Pyrimidones Alkyl phosphates N-substituted imidazoles Vinylogous amides Oxolanes Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic sodium salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Pyrimidone - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Oxolane - Secondary alcohol - 1,2-diol - Azacycle - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
• 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: 472.150 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 471.977 Da
• Monoisotopic Mass: 471.977 Da
• Topological Polar Surface Area: 228.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 705.000
• 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: 3

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