DOTAP Methyl Sulfate

Catalog Number	ACM144189731-1
CAS	144189-73-1
Structure
Synonyms	1,2-Dioleoyl-3-trimethylammonium-propane (DOTAP) methyl sulfate
IUPAC Name	2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium;methyl sulfate
Molecular Weight	774.21
Molecular Formula	C43H83NO8S
Canonical SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)[O-]
InChI	RSMRWWHFJMENJH-LQDDAWAPSA-M
InChI Key	InChI=1S/C42H80NO4.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h20-23,40H,6-19,24-39H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1/b22-20-,23-21-;
Purity	>99%
Solubility	Soluble in ethanol, chloroform, DMSO, DMF; Insoluble in water.
Appearance	White solid
Complexity	845
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	773.584
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Hygroscopic	No
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.COS(=O)(=O)[O-]
Light Sensitive	Yes
Monoisotopic Mass	773.58393978
Percent Composition	C 66.71%, H 10.81%, N 1.81%, O 16.53%, S 4.14%
Physical State	Buffered aqueous suspension
Rotatable Bond Count	37
Shipping	Dry ice
Stability	1 Year
Storage Conditions	-20 °C
Storage Temperature	-20 °C for powder, 4°C for formulated solution
Topological Polar Surface Area	127 Ų

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DOTAP Methyl Sulfate (144189-73-1)

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