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CHAPSO

CAT: 0931-TF0055-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TF0055-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82473-24-3
Target
Others
Related Pathways
Others
Purity
0.9998
Bioactivity
CHAPSO is a nondenaturing, amphoteric descaler, a surface ionic active agent that can be used to solubilize membrane proteins and cleaved protein-protein interactions.
Smiles
[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
Molecular Formula
C32H58N2O8S
Molecular Weight
630.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate

RN given refers to (3alpha,5beta,7alpha,12alpha)-isomer

CAS Number82473-24-3
PubChem CID122145
IUPAC Name3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]-2-hydroxypropane-1-sulfonate
Molecular FormulaC32H58N2O8S
Molecular Weight630.9
XLogP1.9
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity1070
SMILES
C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI
InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
InChIKey
GUQQBLRVXOUDTN-XOHPMCGNSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate
CAS: 82473-24-3
CID: 122145
Formula: C32H58N2O8S
MW: 630.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.9
XLogP31.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass630.39138799
Monoisotopic Mass630.39138799
Topological Polar Surface Area176 Ų
Heavy Atom Count43
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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