N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide
Basic information
- CAS
78699-78-2- Standard SMILES
O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COC2(c3ccccc3)c3ccccc3Oc3ccccc32)O1)c1ccccc1- InChIKey
WXBSDUGZASBMQA-LXLYTFERSA-N- Molecular formula
- C36H29N5O5
- Average molar mass
- 611.6 g/mol
- Monoisotopic mass
- 611.21686904
Names & identifiers
- Preferred name
- N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide
- IUPAC
- N-[9-[(2R,4S,5R)-4-hydroxy-5-[(9-phenylxanthen-9-yl)oxymethyl]oxolan-2-yl]purin-6-yl]benzamide
Database identifiers
- CAS
78699-78-2- PubChem CID
- 53471940
- Nikkaji
- J319.796D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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