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130593-74-7 | Cholane-24-sulfonic acid, 3,7-dihydroxy-, sodium salt (1:1), (3α,5β,7α)-
CAS No: 130593-74-7 Catalog No: AG000UOI MDL No:
Product Description
Catalog Number:
AG000UOI
Chemical Name:
Cholane-24-sulfonic acid, 3,7-dihydroxy-, sodium salt (1:1), (3α,5β,7α)-
CAS Number:
130593-74-7
IUPAC Name:
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonate
InChI:
InChI=1S/C24H42O5S/c1-15(5-4-12-30(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29)/p-1/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24-/m1/s1
InChI Key:
XTAHWZGDBTVOMU-ULQOMZCQSA-M
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
441.267g/mol
Formal Charge:
-1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.647g/mol
Monoisotopic Mass:
441.267g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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