Basic information
- Standard SMILES
O=C(OCc1ccccc1)N1CCNCCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1- InChIKey
HCRKPKXLYWDHPT-UHFFFAOYSA-N- Molecular formula
- C32H38N4O6
- Average molar mass
- 574.7 g/mol
Names & identifiers
- Preferred name
- 1,4,7-Tris-(benzyloxycarbonyl)-1,4,7,10-tetrazacyclododecane
- IUPAC
- tribenzyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
Names & synonyms
SCHEMBL4588381SCHEMBL6202694HCRKPKXLYWDHPT-UHFFFAOYSA-N1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetrazacyclododecane1,4,7-tris-(benzyloxycarbonyl)-1,4,7,10-tetraazacyclododecane
Database identifiers
- PubChem CID
- 15134258
- Nikkaji
- J450.610C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 763
Related reactions
3 records
Compound notes
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