Basic information
- Standard SMILES
CC(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO- InChIKey
VYRAJOITMBSQSE-HDNYONAXSA-N- Molecular formula
- C16H23N5O6
- Average molar mass
- 381.38 g/mol
- Monoisotopic mass
- 381.16483346
Overview
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxane-3,4,5-triol has been reported in Arabidopsis thaliana, Triticum aestivum, and Solanum lycopersicum with data available.
Names & identifiers
- Preferred name
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[6-[(4-hydroxy-3-methylbut-2-enyl)amino]purin-9-yl]oxane-3,4,5-triol
Names & synonyms
SCHEMBL25170498
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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