3'-Amino-2',3'-dideoxyadenosine - ≥99% , CAS No.7403-25-0

CAS: 7403-25-0 Cat. No.: A122925 Molecular Weight: 250.26

GRADE & PURITY ≥99%

Synonyms

DTXSID70224837 | A865976 | MFCD08703999 | HG1025 | SCHEMBL4127891 | 3'-Amino-2',3'-dideoxyadenosine, 98% | 9-(3-Amino-2,3-dideoxy-.beta.-D-erythro-pentofuranosyl)adenine | 9-(3-Amino-2,3-dideoxy-b-D-erythro-pentafuranosyl)adenine | 2',3'-Dideoxy-3'-aminoa

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70224837 | A865976 | MFCD08703999 | HG1025 | SCHEMBL4127891 | 3'-Amino-2', 3'-dideoxyadenosine, 98% | 9-(3-Amino-2, 3-dideoxy-.beta.-D-erythro-pentofuranosyl)adenine | 9-(3-Amino-2, 3-dideoxy-b-D-erythro-pentafuranosyl)adenine | 2', 3'-Dideoxy-3'-aminoa

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)N
• IUPAC Name: [(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
• InChIKey: MVAJRASUDLEWKZ-RRKCRQDMSA-N
• INCHI: 1S/C10H14N6O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2,11H2,(H2,12,13,14)/t5-,6+,7+/m0/s1
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)N
• Molecular Weight: 250.26
• Reaxy-Rn: 41548391
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41548391&ln=

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 Tetrahydrofurans Heteroaromatic compounds 1,3-aminoalcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2',3'-dideoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - 1,3-aminoalcohol - Azole - Heteroaromatic compound - Imidazole - Tetrahydrofuran - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organooxygen 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

• Sensitivity: Light sensitive
• Molecular Weight: 250.260 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 250.118 Da
• Monoisotopic Mass: 250.118 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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