RefChem:907006

(4S,8S)-4,8-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N,6-N',8-N-hexamethyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,6,6,8-hexamine

Also Known As: 1,5-AZM|1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,6-bis(1-aziridinyl)-2,4,4,6,8,8-hexakis(methylamino)-, trans-|1,5-Bis(1-aziridinyl)gem-1,3,3',5,7,7'-hexakis(methylamino)-2,4,6,8,1,3,5,7-tetraazatetraphosphocine|1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,6-bis(1-aziridinyl)-2,4,4,6,8,8-hexakis(methylamino)-, cis-|1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,6-bis(1-aziridinyl)-2,2,4,4,6,6,8,8-octahydro-2,4,4,6,8,8-hexakis(methylamino)-, trans-|1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,6-bis(1-aziridinyl)-2,2,4,4,6,6,8,8-octahydro-2,4,4,6,8,8-hexakis(methylamino)-, cis-|4,8-bis(aziridin-1-yl)-n2,n2,n4,n6,n6,n8-hexamethyl-1,3,5,7,2|E5,4|E5,6|E5,8|E5-tetrazatetraphosphocine-2,2,4,6,6,8-hexamine|(4S,8R)-4,8-bis(aziridin-1-yl)-2-N,2-N',4-N,6-N,6-N',8-N-hexamethyl-1,3,5,7-tetraza-2|4,8-Bis(aziridin-1-yl)-N~2~,N~4~,N~6~,N~8~,N'~2~,N'~6~-hexamethyl-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,2,4,6,6,8-hexamine

Molecular Formula	C10H32N12P4
Molecular Weight	444.18234 g/mol
LogP	-0.6
Topological Polar Surface Area	128.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	444.18234
Monoisotopic Mass	444.18234
Heavy Atoms	26
Complexity	645.0

Chemical Identifiers

CAS Number	2474-07-9
SMILES	CN[P@@]1(=NP(=N[P@@](=NP(=N1)(NC)NC)(NC)N2CC2)(NC)NC)N3CC3
InChIKey	QGYHHJFMAISYHD-WMPKNSHKSA-N