P1,P5-Di(adenosine-5′) pentaphosphate pentasodium - ≥96% , CAS No.4097-04-5

CAS: 4097-04-5 Cat. No.: P113572 Molecular Weight: 1026.28 Beilstein Registry Number: 4949216 EC Number: 223-852-7 PubChem CID: 16219241

GRADE & PURITY ≥96%

Synonyms

4097-04-5|Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt|EINECS 223-852-7|P1,P5-Di(adenosine-5') pentaphosphate pentasodium salt|pentasodium;bis[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]metho

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

A diadenosine polyphosphate stored in secretory granules of chromaffin and neuronal cells and thrombocytes. After release into the extracellular space, the compound affects a variety of biological activities in a wide range of target tissues. In the nervous system it acts through various purinergic receptors. It also activates 5'-nucleotidase and inhibits adenosine kinase activity in vitro. Ap5A is metabolized by soluble enzymes in the blood plasma and by membrane-bound ectoenzymes of a number of cell types including endothelial and smooth muscle cells.

Specifications

Synonyms

4097-04-5 | Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt | EINECS 223-852-7 | P1, P5-Di(adenosine-5') pentaphosphate pentasodium salt | pentasodium;bis[[[(2R, 3S, 4R, 5R)-5-(6-aminopurin-9-yl)-3, 4-dihydroxyoxolan-2-yl]metho

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Polyphosphate diphosphate is stored in the secretory vesicles of platelets, chromaffin cells and nerve cells. When it is released into extracellular matrix, it will affect many biological activities in many target tissues. In the nervous system, it plays

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

≥96%

Names and Identifiers

• Canonical Smiles: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[Na+].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: pentasodium;bis[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
• InChIKey: NNMFUJJMJIYTSP-CSMIRWGRSA-I
• INCHI: 1S/C20H29N10O22P5.5Na/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30;;;;;/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26);;;;;/q;5*+1/p-5/t7-,8-,11-,12-,13-,14-,19-,20-;;;;;/m1...../s1
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[Na+].[Na+].[Na+].[Na+].[Na+]
• WGK Germany: 3
• Alternate CAS: 41708-91-2
• PubChem CID: 16219241
• Molecular Weight: 1026.28
• Beilstein: 4949216

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class (5'->5')-dinucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: (5'->5')-dinucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: (5'->5')-dinucleotides
• Alternative Parents: Purine ribonucleoside polyphosphates Purine nucleotide sugars Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines 6-aminopurines Monosaccharide phosphates Aminopyrimidines and derivatives Alkyl phosphates N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (5'->5')-dinucleotide - Purine ribonucleoside polyphosphate - Purine nucleotide sugar - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Imidolactam - Monosaccharide - Alkyl phosphate - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Azole - Imidazole - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organic oxide - Amine - Organonitrogen compound - Organic zwitterion - Alcohol - Organic salt - Organic sodium salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage.
• 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

• Solubility: Soluble in water (50 mg/ml.clear,Slightly yellow
• Molecular Weight: 1026.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 16
• Exact Mass: 1025.92 Da
• Monoisotopic Mass: 1025.92 Da
• Topological Polar Surface Area: 495.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1540.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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: 6

XLogP3