Basic information
- Standard SMILES
O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](C(O)N2C(=O)c3ccccc3C2=O)O1)c1ccccc1- InChIKey
FRXBRGIYBKBCFH-XLNQTGJHSA-N- Molecular formula
- C25H20N6O6
- Average molar mass
- 500.5 g/mol
Names & identifiers
- Preferred name
- 5'-phthalimido-N6-benzoyl-2'-deoxyadenosine
- IUPAC
- N-[9-[(2R,4S,5S)-5-[(1,3-dioxoisoindol-2-yl)-hydroxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
Names & synonyms
SCHEMBL5371905FRXBRGIYBKBCFH-XLNQTGJHSA-N5'-phthalimido-N6-benzoyl-2'-deoxyadenosine
Database identifiers
- PubChem CID
- 69420144
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 877
Related reactions
1 records
Compound notes
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