2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Catalog No: FT-0701160
CAS No: 136553-81-6
- Molecular Formula: 610.7
- Formula Weight: C31H42N6O7
- Inchl Key: VYCMAAOURFJIHD-PJNXIOHISA-N
- Inchl: InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/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 |
| Melting_Point: | N/A |
|---|---|
| FW: | 610.701 |
| CAS: | 136553-81-6 |
| MF: | C31H42N6O7 |
| Flash_Point: | 591.0±34.3 °C |
| Product_Name: | BQ-123 |
| Bolling_Point: | 1053.6±65.0 °C at 760 mmHg |
| Density: | 1.3±0.1 g/cm3 |
| FW: | 610.701 |
|---|---|
| Refractive_Index: | 1.621 |
| Vapor_Pressure: | 0.0±0.3 mmHg at 25°C |
| Flash_Point: | 591.0±34.3 °C |
| LogP: | -0.10 |
| Bolling_Point: | 1053.6±65.0 °C at 760 mmHg |
| More_Info: | ['1 . Appearance 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）无可用 ', '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 无可用'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :6 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :15 ', '5. Isotope Atom Count :16 ', '6. TPSA 204 ', '7. Heavy Atom Count :44 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :1100 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :5 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| MF: | C31H42N6O7 |
| Exact_Mass: | 610.311523 |
| Molecular_Structure: | ['1 . Molar refractive index 16121 ', '2 . Molar volume （m3/mol）4582 ', '3 . Parachor （902K）13056 ', '4 . Surface tension 658 ', '5 . Polarizability （10 -24cm 3）6391'] |
| Density: | 1.3±0.1 g/cm3 |
| PSA: | 189.80000 |
| RIDADR: | NONH for all modes of transport |
|---|---|
| Safety_Statements: | S22-S24/25 |
| Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
