Basic information
- Standard SMILES
C[C@H](CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
KDIRTCPHKDPWMQ-MUZWZVNPSA-N- Molecular formula
- C22H35N5O11
- Average molar mass
- 545.5 g/mol
- Monoisotopic mass
- 545.23330694
Names & identifiers
- Preferred name
- (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[6-[[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol
- IUPAC
- (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[6-[[(3R)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 245 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 746
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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