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ASB-16

CAT: 0013-GTR19245065-03Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245065-03Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASB-16 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
52562-29-5
Smiles
O=C (CCCCCCCCCCCCCCC) NCCC[N+] (C) (CCCS (=O) ([O-]) =O) C
Molecular Formula
C24H50N2O4S
Molecular Weight
462.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[N,N-Dimethyl(3-palmitoylaminopropyl)ammonio]-propanesulfonate
CAS Number52562-29-5
PubChem CID5067680
IUPAC Name3-[3-(hexadecanoylamino)propyl-dimethylazaniumyl]propane-1-sulfonate
Molecular FormulaC24H50N2O4S
Molecular Weight462.7
XLogP6.4
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count21
Heavy Atom Count31
Formal Charge0
Complexity517
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI
InChI=1S/C24H50N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(27)25-20-17-21-26(2,3)22-18-23-31(28,29)30/h4-23H2,1-3H3,(H-,25,27,28,29,30)
InChIKey
CLCSYZQBLQDRQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[N,N-Dimethyl(3-palmitoylaminopropyl)ammonio]-propanesulfonate
CAS: 52562-29-5
CID: 5067680
Formula: C24H50N2O4S
MW: 462.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.7
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count21
Exact Mass462.34912925
Monoisotopic Mass462.34912925
Topological Polar Surface Area94.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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