Basic information
- CAS
40951-24-4- Standard SMILES
O=C(CCNP(=O)(Oc1ccc(OP(=O)(NCCC(=O)c2cccnc2)N2CC2)cc1)N1CC1)c1cccnc1- InChIKey
YDCLNXKATWIFOF-UHFFFAOYSA-N- Molecular formula
- C26H30N6O6P2
- Average molar mass
- 584.5 g/mol
- Monoisotopic mass
- 584.17020669
Names & identifiers
- Preferred name
- Phosphonamidic acid, p-1-aziridinyl-N-(3-oxo-3-(3-pyridinyl)propyl)-, 1,4-phenylene ester
- IUPAC
- 3-[[aziridin-1-yl-[4-[aziridin-1-yl-[(3-oxo-3-pyridin-3-ylpropyl)amino]phosphoryl]oxyphenoxy]phosphoryl]amino]-1-pyridin-3-ylpropan-1-one
Names & synonyms
40951-24-4RefChem:1095134Phosphonamidic acid, p-1-aziridinyl-N-(3-oxo-3-(3-pyridinyl)propyl)-, 1,4-phenylene esterA-273Diethylenediamide di(2-(nicotinoyl)ethylamino)-p-phenylenediphosphoric acidp-(1-Aziridinyl)-N-(2-nicotinoylethyl)phosphonamidic acid p-phenylene esterPhosphonamidic acid, p-(1-aziridinyl)-N-(2-nicotinoylethyl)-, p-phenylene esterDTXSID60961325YDCLNXKATWIFOF-UHFFFAOYSA-N1,4-Phenylene bis[P-(aziridin-1-yl)-N-[3-oxo-3-(pyridin-3-yl)propyl](phosphonamidate)]1,4-Phenylene bis{P-aziridin-1-yl-N-[3-oxo-3-(pyridin-3-yl)propyl](phosphonamidate)}
Database identifiers
- CAS
40951-24-4- PubChem CID
- 218624
- DTXSID
DTXSID60961325
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 895
Related reactions
1 records
Compound notes
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