(3a,6a)-3,6-Dihydroxycholan-24-oic acid
Catalog No: FT-0689422
CAS No: 10421-49-5
- Molecular Formula: 414.6
- Formula Weight: C24H39NaO4
- Inchl Key: DUYSCILLIVEITB-IHUGHQDSSA-M
- Inchl: 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
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| 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'] |
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