Chapso

Catalog	DGS82473243
CAS	82473-24-3
Structure
Synonyms	3-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonate
IUPAC Name	3-[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 Weight	630.88
Molecular Formula	C32H58N2O8S
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
InChI Key	GUQQBLRVXOUDTN-XOHPMCGNSA-N
Melting Point	186 °C
Purity	>99%
Solubility	Soluble in water
Appearance	White solid
Aggregation Number	11
Average Micellar Weight	7000
Cloud Point	90 °C
Complexity	1070
Critical Micelle Concentration	8 mM (0.50%)
Exact Mass	630.39138799
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isomeric 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
Monoisotopic Mass	630.39138799
Rotatable Bond Count	11
Storage Conditions	Room temperature
Topological Polar Surface Area	176 Ų
XLogP3-AA	1.9