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Adenosine 5′-diphosphate bis(cyclohexylammonium) salt - 95% (HPLC), high purity , CAS No.102029-87-8
Basic Description
Synonyms
ADP
Specifications & Purity
≥95%(HPLC)
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Adenosine 5 '- diphosphate (ADP) is an adenine nucleotide involved in energy storage and nucleic acid metabolism through the conversion of ATP synthase to ATP. ADP affects platelet activation through its interaction with ADP receptors P2Y1, P2Y12, and P2X1. After being converted to adenosine through the ecto ADP enzyme, platelet activation is inhibited through adenosine receptors.
Taxonomic Classification
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-aminopurines Monosaccharide phosphates Organic pyrophosphates Aminopyrimidines and derivatives Cyclohexylamines N-substituted imidazoles Imidolactams Alkyl phosphates Oxolanes Heteroaromatic compounds Quaternary ammonium salts Secondary alcohols 1,2-diols Azacyclic compounds Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Not available
Substituents
Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pentose-5-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Cyclohexylamine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Imidolactam - Monosaccharide - Phosphoric acid ester - Organic phosphoric acid derivative - Alkyl phosphate - Azole - Heteroaromatic compound - Imidazole - Quaternary ammonium salt - Oxolane - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Azacycle - Oxacycle - Primary amine - Primary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen 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.
Names and Identifiers
Pubchem Sid
504772081
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772081
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;cyclohexanamine
INCHI
InChI=1S/C10H15N5O10P2.2C6H13N/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;2*7-6-4-2-1-3-5-6/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);2*6H,1-5,7H2/t4-,6-,7-,10-;;/m1../s1
InChIKey
SCOUEIPNDLFPCX-IDIVVRGQSA-N
Smiles
C1CCC(CC1)N.C1CCC(CC1)N.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Isomeric SMILES
C1CCC(CC1)N.C1CCC(CC1)N.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
PubChem CID
71312150
Molecular Weight
625.55
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
solubility H2O: soluble, clear to slightly hazy, colorless to faintly yellow
Molecular Weight
625.500 g/mol
XLogP3
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
16
Rotatable Bond Count
6
Exact Mass
625.239 Da
Monoisotopic Mass
625.239 Da
Topological Polar Surface Area
285.000 Ų
Heavy Atom Count
41
Formal Charge
0
Complexity
684.000
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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C23151703