1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,4-bis(1-aziridinyl)-2,4,6,6-tetramorpholino-, trans-
Basic information
- CAS
19591-93-6- Standard SMILES
C1CN(P2(N3CCOCC3)=N[P@@](N3CCOCC3)(N3CC3)=N[P@](N3CCOCC3)(N3CC3)=N2)CCO1- InChIKey
UPCKTKGCNDPHOE-VSJLXWSYSA-N- Molecular formula
- C20H40N9O4P3
- Average molar mass
- 563.5 g/mol
- Monoisotopic mass
- 563.24161178
Names & identifiers
- Preferred name
- 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,4-bis(1-aziridinyl)-2,4,6,6-tetramorpholino-, trans-
- IUPAC
- 4-[(2S,4R)-2,4-bis(aziridin-1-yl)-4,6,6-trimorpholin-4-yl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine
Names & synonyms
BRN 64951671,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,4-bis(1-aziridinyl)-2,4,6,6-tetramorpholino-, trans-19591-93-6RefChem:217098DTXSID209413602,2,4,6-Tetrakis(4-morpholinyl)-4,6-bis(1-aziridinyl)cyclotriphosphazene(2R,4R)-2,4-Bis(aziridin-1-yl)-2,4-bis(morpholin-4-yl)-6,6-bis(morpholin-4-yl)-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine
Database identifiers
- CAS
19591-93-6- PubChem CID
- 209255
- DTXSID
DTXSID20941360
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 903
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Compound notes
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