 Home > Encyclopedia > 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

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

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 structure

CAS No:
19591-93-6
Formula:
C20H40N9O4P3
Chemical Name:
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
Synonyms:
19591-93-6;BRN 6495167;DTXSID20941360;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-;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

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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 Basic Attributes

Molecular Weight：

563.5 g/mol

Exact Mass：

563.24161178 g/mol

Characteristics

PSA：

93 Å²

XLogP3：

-0.2672

Melting Point：

157 - 158.5 °C (diethyl ether)

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	800 mg/kg	Details of toxic effects not reported other than lethal dose value--	Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 29,1341,1986

Computed Properties

Molecular Weight:563.5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:563.24161178
Monoisotopic Mass:563.24161178
Topological Polar Surface Area:93
Heavy Atom Count:36
Complexity:903
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 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

Basic Attributes
Characteristics
Toxicity
Computed Properties

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