N6-(Benzyloxycarbonyl)-9-(chlorocarbonylmethyl)adenine
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Basic information
- Standard SMILES
O=C(Cl)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21- InChIKey
DDGHEILIZGKGKR-UHFFFAOYSA-N- Molecular formula
- C15H12ClN5O3
- Average molar mass
- 345.74 g/mol
Names & identifiers
- Preferred name
- N6-(Benzyloxycarbonyl)-9-(chlorocarbonylmethyl)adenine
- IUPAC
- benzyl N-[9-(2-chloro-2-oxoethyl)purin-6-yl]carbamate
Names & synonyms
SCHEMBL7906492DDGHEILIZGKGKR-UHFFFAOYSA-NN6-(Benzyloxycarbonyl)-9-(chlorocarbonylmethyl)adenineN6 -(Benzyloxycarbonyl)-9-(chlorocarbonylmethyl)adenine
Database identifiers
- PubChem CID
- 22014446
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
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Related reactions
6 records
Compound notes
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