Basic information
- Standard SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Cl)nc(I)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1- InChIKey
NUCGJOUXUIXGSN-ISJRUSPKSA-N- Molecular formula
- C26H21ClIN5O6
- Average molar mass
- 661.8 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate
- IUPAC
- [(2S,3S,4R,5R)-4-benzoyloxy-5-(6-chloro-2-iodopurin-9-yl)-2-(ethylcarbamoyl)oxolan-3-yl] benzoate
Names & synonyms
SCHEMBL4379652NUCGJOUXUIXGSN-ISJRUSPKSA-N(2R,3 R,4S,5S)-4-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-y)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S 5S)-4-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yi)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(Benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]-tetrahydro-3-furanyl benzoate(2R,3R,4S,5S)-4-(benzoyloxy)-2-(6-chloro-2-iodo-9H-purin-9-yl)-5-[(ethylamino)carbonyl]tetrahydro-3-furanyl benzoate
Database identifiers
- PubChem CID
- 10189909
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 891
Related reactions
12 records
Compound notes
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