diadenosine diphosphate - Moligand™ , CAS No.D609866

CAS: D609866 Cat. No.: D609866 PubChem CID: 188326

GRADE & PURITY Moligand™

Synonyms

CHEBI:168561 | GTPL1065 | Diadenosine diphosphate | Diadenosine-5',5'-pyrophosphate | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethy

Storage

Room temperature

Specifications

Synonyms

CHEBI:168561 | GTPL1065 | Diadenosine diphosphate | Diadenosine-5', 5'-pyrophosphate | [({[(2R, 3S, 4R, 5R)-5-(6-amino-9H-purin-9-yl)-3, 4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R, 3S, 4R, 5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethy

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)n1cnc2c1ncnc2N
• IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
• InChIKey: FHISWBUCBBVWGG-SNESVTBZSA-N
• INCHI: 1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(41-19)2-39-44(35,36)43-45(37,38)42-14-7(1-31)40-20(13(14)34)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)(H2,21,23,25)(H2,22,24,26)/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)O[C@@H]4[C@H](O[C@@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)CO)O)O)N
• PubChem CID: 188326

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class (3'->5')-dinucleotides and analogues
      • Subclass (3'->5')-dinucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: (3'->5')-dinucleotides and analogues
• Subclass: (3'->5')-dinucleotides
• Intermediate Tree Nodes: Not available
• Direct Parent: (3'->5')-dinucleotides
• Alternative Parents: Purine ribonucleoside diphosphates Purine ribonucleoside monophosphates Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Monosaccharide phosphates 6-aminopurines Organic pyrophosphates Monoalkyl phosphates Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: (3'->5')-dinucleotide - Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Monoalkyl phosphate - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Pyrimidine - Tetrahydrofuran - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Amine - Organic oxide - Primary alcohol - Primary amine - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as (3'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (3'->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