8-Amino-2'-deoxyadenosine
Basic information
- CAS
13389-09-8- Standard SMILES
Nc1ncnc2c1nc(N)n2[C@H]1C[C@H](O)[C@@H](CO)O1- InChIKey
KHQCCEUMCUSZKM-KVQBGUIXSA-N- Molecular formula
- C10H14N6O3
- Average molar mass
- 266.26 g/mol
- Monoisotopic mass
- 266.11273833
Names & identifiers
- Preferred name
- 8-Amino-2'-deoxyadenosine
- IUPAC
- (2R,3S,5R)-5-(6,8-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
- English name
- 8-Amino-2'-deoxyadenosine
- Molecular formula
- C10H14N6O3
- Molecular weight
- 266.26
Names & synonyms
8-Amino-2'-deoxyadenosine13389-09-88-Amino-dARefChem:106888(2R,3S,5R)-5-(6,8-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-olSCHEMBL658005orb1907771TNU1233KHQCCEUMCUSZKM-KVQBGUIXSA-N(2R,3S,5R)-5-(6,8-diamino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-olAdenosine,8-amino-2'-deoxy- (9CI)NSC 101167
Show more names
Adenosine, 8-amino-2'-deoxy-5-(6,8-DIAMINOPURIN-9-YL)-2-(HYDROXYMETHYL)OXOLAN-3-OL
DA-50228NA163126H627309H-Purine, 6,8-diamino-9-(2-deoxy-beta-D-ribofuranosyl)-(2R,3S,5R)-5-(6,8-diamino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Database identifiers
- CAS
13389-09-8- PubChem CID
- 97119
- Nikkaji
- J1.130.411G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 698.2 · 698.2±65.0 °C(Predicted)
- Density
- 2.08 · 2.08±0.1 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.60(Predicted)
Chemistry & industry
Applications
Uses8-Amino-2’-deoxyadenosine is derived from 8-Azido-2’-deoxyadenosine which is needed for the preparation of oligonucleotides. Also, it is base-paired with 2’-deoxythymidine which may have important significance for designing novel DNA duplexes and triplexes.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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