Home Sulfos 3-[(3-CholaMidopropyl)diMethylaMMonio]-1-propanesulfonate hydrate

3-[(3-CholaMidopropyl)diMethylaMMonio]-1-propanesulfonate hydrate

CAS No.:
331717-45-4
Catalog Number:
AG00CMZ2
Molecular Formula:
Molecular Weight:
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Purity
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Product Description
Catalog Number:
AG00CMZ2
Chemical Name:
3-[(3-CholaMidopropyl)diMethylaMMonio]-1-propanesulfonate hydrate
CAS Number:
331717-45-4
MDL Number:
MFCD21332912
IUPAC 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
InChI:
InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22?,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
InChI Key:
UMCMPZBLKLEWAF-RFCNGIAKSA-N
EC Number:
616-246-2
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
614.396g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
614.883g/mol
Monoisotopic Mass:
614.396g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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Properties