Basic information
- Standard SMILES
Nc1nc(NCCc2ccc(Br)s2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
AAOUMTJGKXLPMZ-PMXXHBEXSA-N- Molecular formula
- C16H19BrN6O4S
- Average molar mass
- 471.3 g/mol
Names & identifiers
- Preferred name
- 2-[2-(5-Bromo-2-thienyl)ethylamino]-adenosine
- IUPAC
- (2R,3R,4S,5R)-2-[6-amino-2-[2-(5-bromothiophen-2-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
SCHEMBL9762160AAOUMTJGKXLPMZ-PMXXHBEXSA-N2-[2-(5-bromo-2-thienyl)ethylamino]-adenosine
Database identifiers
- PubChem CID
- 15036629
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
Related reactions
1 records
Compound notes
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