2,3'-Diamino-2',3'-dideoxyadenosine - ≥98% , CAS No.915399-37-0

CAS: 915399-37-0 Cat. No.: D1004285 PubChem CID: 57359004

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(C(OC1N2C=NC3=C(N=C(N=C32)N)N)CO)N
• IUPAC Name: [(2S,3S,5R)-3-amino-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methanol
• InChIKey: RXUVXJPZMYYFEO-KVQBGUIXSA-N
• INCHI: 1S/C10H15N7O2/c11-4-1-6(19-5(4)2-18)17-3-14-7-8(12)15-10(13)16-9(7)17/h3-6,18H,1-2,11H2,(H4,12,13,15,16)/t4-,5+,6+/m0/s1
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)N
• Alternate CAS: 915399-37-0
• PubChem CID: 57359004

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Purine nucleosides
      • Subclass Purine 2',3'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Purine nucleosides
• Subclass: Purine 2',3'-dideoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2',3'-dideoxyribonucleosides
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds 1,3-aminoalcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2',3'-dideoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Pyrimidine - Imidolactam - 1,3-aminoalcohol - Azole - Imidazole - Heteroaromatic compound - Oxolane - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 2',3'-dideoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at positions 2 and 3.
• 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: 265.270 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 265.129 Da
• Monoisotopic Mass: 265.129 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 333.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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