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Basic information
- Standard SMILES
CCOP(=O)(O)CN1CCNCCN(CP(=O)(O)OCC)CCNCC1- InChIKey
BTVGMIVNMOTNSB-UHFFFAOYSA-N- Molecular formula
- C14H34N4O6P2
- Average molar mass
- 416.39 g/mol
- Monoisotopic mass
- 416.19535881
Names & identifiers
- Preferred name
- Ethoxy-[[7-[[ethoxy(hydroxy)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphinic acid
- IUPAC
- ethoxy-[[7-[[ethoxy(hydroxy)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphinic acid
Names & synonyms
NSC696845CHEMBL2008456ethoxy-[[7-[[ethoxy(hydroxy)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phosphinic acidNCI60_034485Ethyl hydrogen (7-{[ethoxy(hydroxy)phosphoryl]methyl}-1,4,7,10-tetraazacyclododecan-1-yl)methylphosphonate-
Database identifiers
- PubChem CID
- 393885
- ChEMBL
CHEMBL2008456
Properties
Computed structural propertiesFilling in
- XLogP
- -7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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