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DOTAP mesylate

CAT: 0013-GTR19248594-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248594-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DOTAP mesylate is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
252769-92-9
Smiles
S (C) (=O) (=O) [O-].C (OC (CCCCCCC/C=C\CCCCCCCC) =O) (COC (CCCCCCC/C=C\CCCCCCCC) =O) C[N+] (C) (C) C
Molecular Formula
C43H83NO7S
Molecular Weight
758.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DOTAP mesylate
CAS Number252769-92-9
PubChem CID5702610
IUPAC Name2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium;methanesulfonate
Molecular FormulaC43H83NO7S
Molecular Weight758.2
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count37
Heavy Atom Count52
Formal Charge0
Complexity833
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.CS(=O)(=O)[O-]
InChI
InChI=1S/C42H80NO4.CH4O3S/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(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-;
InChIKey
APGRDDRQPNSEQY-LQDDAWAPSA-M
Chemical Structure
2D Structure
2D structure of DOTAP mesylate
CAS: 252769-92-9
CID: 5702610
Formula: C43H83NO7S
MW: 758.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight758.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count37
Exact Mass757.58902516
Monoisotopic Mass757.58902516
Topological Polar Surface Area118 Ų
Heavy Atom Count52
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-W127426-01DOTAP (mesylate)
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HY-112754A-01DOTAP (chloride)
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