Chemical Name: (3a,6a)-3,6-Dihydroxycholan-24-oic acid
Molecular Formula: C24H39NaO4
Molecular Weight: 414.6
InChI Key: DUYSCILLIVEITB-ADQIWYCWSA-M
InChI: InChI=1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-;/m1./s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

FW:	414.554
CAS:	10421-49-5
Melting_Point:	N/A
Bolling_Point:	547.1ºC at 760 mmHg
MF:	C24H39NaO4
Product_Name:	Sodium (3α,5β,6α)-3,6-dihydroxycholan-24-oate
Flash_Point:	298.8ºC
Density:	N/A

FW:	414.554
MF:	C24H39NaO4
LogP:	3.14320
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index 35 ° (C=2, H2O) ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Bolling_Point:	547.1ºC at 760 mmHg
Exact_Mass:	414.274597
PSA:	80.59000
Computational_Chemistry:	['1 . XlogP 49 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 778 ', '6 . Heavy Atom Count 28 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 605 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 2 ', '11 . Undefined Atom Stereocenter Count 8 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Vapor_Pressure:	2.98E-14mmHg at 25°C
Flash_Point:	298.8ºC
Molecular_Structure:	['1 . Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor （902K）无可用 ', '4 . Surface tension 无可用']