Basic information
- CAS
5917-30-6- Standard SMILES
CCOC(=O)CNP1(NCC(=O)OCC)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1- InChIKey
DWJSCTJHQQPMJK-UHFFFAOYSA-N- Molecular formula
- C16H32N9O4P3
- Average molar mass
- 507.41 g/mol
- Monoisotopic mass
- 507.17901153
Names & identifiers
- Preferred name
- 2,2,4,4-Tetrakis(aziridin-1-yl)-6,6-bis((2-ethoxy-2-oxoethyl)amino)cyclotriphosphazene
- IUPAC
- ethyl 2-[[4,4,6,6-tetrakis(aziridin-1-yl)-2-[(2-ethoxy-2-oxoethyl)amino]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]amino]acetate
Names & synonyms
5917-30-6DTXSID602078962,2,4,4-Tetrakis(aziridin-1-yl)-6,6-bis((2-ethoxy-2-oxoethyl)amino)cyclotriphosphazeneRefChem:1059001DTXCID10130387BRN 13608591,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-6,6-bis((2-ethoxy-2-oxoethyl)amino)-2,2,4,4-tetrakis(1-aziridinyl)-CHEMBL282579SCHEMBL21875597Diethyl 2,2'-{[6,6-bis(aziridin-1-yl)-4,4-bis(aziridin-1-yl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine-2,2-diyl]bis(azanediyl)}diacetate
Database identifiers
- CAS
5917-30-6- PubChem CID
- 201402
- DTXSID
DTXSID60207896- ChEMBL
CHEMBL282579
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 846
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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