3-[dimethyl-[3-[[(4R)-4-[(3R,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]propane-1-sulfonate

Base Information

• Chemical Name: 3-[dimethyl-[3-[[(4R)-4-[(3R,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]propane-1-sulfonate
• CAS No.: 75621-03-3
• Molecular Formula: C32H58N2O7S
• Molecular Weight: 614.888
• Hs Code.: 29239000
• European Community (EC) Number: 616-246-2
• Wikipedia: CHAPS_detergent
• Mol file: 75621-03-3.mol

Synonyms:75621-03-3;C32-H58-N2-O7-S;MFCD00012116;CHAPS, High Purity;CHAPS hydrate Biochemistry grade;CHAPS, >=97.0%;AKOS025286079;CHAPS, Vetec(TM) reagent grade, 96%;F14763;M01449;Q-200823;3-[(3-Chloromidopropyl)dimethylammonio]-1-propanesulfonate;({[4-(AMINOSULFONYL)PHENYL]SULFONYL}AMINO)ACETICACID

Chemical Property of 3-[dimethyl-[3-[[(4R)-4-[(3R,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]propane-1-sulfonate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 156-158 °C (dec.)
• Refractive Index: 1.6900 (estimate)
• PSA: 155.37000
• Density: 1.01 g/mL at 20 °C
• LogP: 4.35380
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 50 mg/mL at 20 °C, clear, colorless
• Water Solubility.: Soluble in water (10 mg/ml). Soluble in DMF and hot methanol.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 614.39647337
• Heavy Atom Count: 42
• Complexity: 1030

Purity/Quality:

99.0% ^*data from raw suppliers

CHAPS ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-61
• Safety Statements: 26-36-45-53

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C
• Uses: CHAPS is a zwitterionic nondenaturing detergent for solubilizing membrane proteins. It is used in the laboratory to dissolve biological macromolecules such as proteins. It acts as a non-denaturing solvent used in purification of membrane proteins. It is also useful in conjunction with nonionic detergents like Triton X-100. Further, it is used as a non-denaturing zwitterionic detergent for membrane biochemistry.

Technology Process of 3-[dimethyl-[3-[[(4R)-4-[(3R,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]propane-1-sulfonate

There total 1 articles about 3-[dimethyl-[3-[[(4R)-4-[(3R,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]propane-1-sulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C88H56N4(4+)*4Cl(1-)*C32H58N2O7S → C88H60N4O4 + 3-[(3-cholamidopropyl)dimethylammonio]propanesulfonate (75621-03-3)

Guidance literature:

With water; sodium hydrogencarbonate; at 20 ℃;

DOI:10.1002/anie.201703357

Reference yield: 100.0%

C88H56N4(4+)*4Cl(1-) + 3-[(3-cholamidopropyl)dimethylammonio]propanesulfonate (75621-03-3) → C88H56N4(4+)*4Cl(1-)*C32H58N2O7S

Guidance literature:

In water-d2; at 20 ℃; for 0.166667h;

DOI:10.1002/anie.201703357

Reference yield:

C88H60N4O4 + 3-[(3-cholamidopropyl)dimethylammonio]propanesulfonate (75621-03-3) → C88H56N4(4+)*4Cl(1-)*C32H58N2O7S

Guidance literature:

With hydrogenchloride; In water; at 20 ℃;

DOI:10.1002/anie.201703357

Refernces