Chemical Name: Taurodeoxycholic acid sodium salt
Molecular Formula: C26H44NNaO6S
Molecular Weight: 521.7
InChI Key: YXHRQQJFKOHLAP-FVCKGWAHSA-M
InChI: InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/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

Product_Name:	Sodium Taurodeoxycholate
Flash_Point:	N/A
Melting_Point:	168 °C (dec.)(lit.)
FW:	521.685
Density:	N/A
CAS:	1180-95-6
Bolling_Point:	N/A
MF:	C26H44NNaO6S

Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 521278703 Da ', '8. Nominal mass 521 Da ', '9. Average mass 5216854 Da']
Water_Solubility:	soluble
FW:	521.685
Computational_Chemistry:	['1 . Hydrogen Bond Donor Count 3 ', '2 . Hydrogen Bond Acceptor Count 7 ', '3 . Rotatable Bond Count 8 ', '4 . Isotope Atom Count 2 ', '5 . TPSA 136 ', '6 . Heavy Atom Count 36 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 882 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 10 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']
LogP:	4.52640
Melting_Point:	168 °C (dec.)(lit.)
PSA:	135.14000
MF:	C26H44NNaO6S
More_Info:	['1 . Appearance 晶体状粉末 ', '2 . Density（g/cm3,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）168 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,05mmHg）Unknow ', '7 . Refractive index(°)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º, c=3, water）33 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Soluble in Water ']
Exact_Mass:	521.278687