Basic information
- CAS
34691-29-7- Standard SMILES
C=CC(=O)C1=CN(P(=O)(Oc2ccc(OP(=O)(N3CC3)N3CC3)cc2)N2CC2)CC(N)=C1- InChIKey
ANTIVHHDTMXRCT-UHFFFAOYSA-N- Molecular formula
- C20H25N5O5P2
- Average molar mass
- 477.4 g/mol
- Monoisotopic mass
- 477.13309291
Names & identifiers
- Preferred name
- Phosphonamidic acid, p-(1-aziridinyl)-N-(2-nicotinoylethyl)-, p-((bis(1-aziridinyl)phosphinyl)oxy)phenyl ester
- IUPAC
- 1-[3-amino-1-[aziridin-1-yl-[4-[bis(aziridin-1-yl)phosphoryloxy]phenoxy]phosphoryl]-2H-pyridin-5-yl]prop-2-en-1-one
Names & synonyms
Phosphonamidic acid, p-(1-aziridinyl)-N-(2-nicotinoylethyl)-, p-((bis(1-aziridinyl)phosphinyl)oxy)phenyl ester34691-29-7RefChem:1095132
Database identifiers
- CAS
34691-29-7- PubChem CID
- 214964
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 932
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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