Basic information
- Standard SMILES
N#CCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1- InChIKey
VDSIIXAHKDGNFW-XKLVTHTNSA-N- Molecular formula
- C18H22N6O4
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- 2-(7-Cyano-1-heptynyl)-Adenosine
- IUPAC
- 8-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]oct-7-ynenitrile
Names & synonyms
SCHEMBL5879210VDSIIXAHKDGNFW-XKLVTHTNSA-N2-(7-Cyano-1-heptynyl)-Adenosine2-(7-cyano-1-heptyne-1-yl)adenosine403731-23-7
Database identifiers
- PubChem CID
- 69595306
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 642
Related reactions
1 records
Compound notes
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