Ouabain Octahydrate
Catalog No: FT-0673316
CAS No: 11018-89-6
- Chemical Name: Ouabain Octahydrate
- Molecular Formula: C29H60O20
- Molecular Weight: 728.8
- InChI Key: TYBARJRCFHUHSN-DMJRSANLSA-N
- InChI: InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Danger |
|---|---|
| FW: | 584.653 |
| Density: | 1.5±0.1 g/cm3 |
| CAS: | 11018-89-6 |
| Bolling_Point: | 838.2±65.0 °C at 760 mmHg |
| Product_Name: | Ouabain Octahydrate |
| Melting_Point: | 260ºC |
| Flash_Point: | 272.9±27.8 °C |
| MF: | C29H60O20 |
| Molecular_Structure: | ['1 . Molar refractive index 14117 ', '2 . Molar volume 3846 ', '3 . Parachor （902K）11638 ', '4 . Surface tension 837 ', '5 . Polarizability 5596'] |
|---|---|
| Flash_Point: | 272.9±27.8 °C |
| Refractive_Index: | 1.655 |
| FW: | 584.653 |
| Density: | 1.5±0.1 g/cm3 |
| Bolling_Point: | 838.2±65.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1 . XlogP -17 ', '2 . Hydrogen Bond Donor Count 8 ', '3 . Hydrogen Bond Acceptor Count 12 ', '4 . Rotatable Bond Count 4 ', '5 . TPSA 207 ', '6 . Heavy Atom Count 41 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 1080 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 15 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| LogP: | -1.64 |
| Melting_Point: | 260ºC |
| PSA: | 280.44000 |
| MF: | C29H60O20 |
| More_Info: | ['1 . Appearance White 粉末 ', '2 . Density（g/mL,25/4℃） 无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）260 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa） 无可用 ', '7 . Refractive index 无可用 ', '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 可Soluble in Water '] |
| Vapor_Pressure: | 0.0±0.6 mmHg at 25°C |
| Exact_Mass: | 584.283264 |
| Hazard_Codes: | T: Toxic; |
|---|---|
| Risk_Statements(EU): | R23/25 |
| Safety_Statements: | S45 |
| Symbol: | Danger |
| Packing_Group: | III |
| Hazard_Class: | 6.1(b) |
| RIDADR: | UN 1544 6.1/PG 1 |
| Warning_Statement: | Missing Phrase - N15.00950417-P260-P304 + P340 + P312-P403 + P233 |
