Basic information
- Standard SMILES
CCc1cc([C@H]2O[C@@H](n3cnc4c(N[C@H](CO)Cc5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)on1- InChIKey
NLMSQWOKWHBWSG-ZSHMZMTCSA-N- Molecular formula
- C23H25ClN6O5
- Average molar mass
- 500.9 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5S)-2-[6-((S)-1-benzyl-2-hydroxy-ethylamino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)-tetrahydro-furan-3,4-diol
- IUPAC
- (2R,3R,4S,5S)-2-[2-chloro-6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]purin-9-yl]-5-(3-ethyl-1,2-oxazol-5-yl)oxolane-3,4-diol
Names & synonyms
SCHEMBL2809155NLMSQWOKWHBWSG-ZSHMZMTCSA-N(2R,3R,4S,5S)-2-[6-((S)-1-benzyl-2-hydroxy-ethylamino)-2-chloro-purin-9-yl]-5-(3-ethyl-isoxazol-5-yl)-tetrahydro-furan-3,4-diol
Database identifiers
- PubChem CID
- 86634603
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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