![(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 153-61-7) - Chemical Structure and Molecular Formula](/static/img/prod_pic/FT-0653512.png "(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure")
(6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog No: FT-0653512
CAS No: 153-61-7
- Chemical Name: (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- Molecular Formula: C16H16N2O6S2
- Molecular Weight: 396.4
- InChI Key: XIURVHNZVLADCM-IUODEOHRSA-N
- InChI: InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/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 |
| Melting_Point: | 160-161ºC |
|---|---|
| CAS: | 153-61-7 |
| MF: | C16H16N2O6S2 |
| Flash_Point: | 411.8±32.9 °C |
| Product_Name: | Cefalotin |
| Density: | 1.6±0.1 g/cm3 |
| FW: | 396.438 |
| Bolling_Point: | 757.2±60.0 °C at 760 mmHg |
| Refractive_Index: | 1.676 |
|---|---|
| Vapor_Pressure: | 0.0±2.7 mmHg at 25°C |
| Flash_Point: | 411.8±32.9 °C |
| LogP: | 1.45 |
| Bolling_Point: | 757.2±60.0 °C at 760 mmHg |
| Water_Solubility: | 158 MG/L |
| FW: | 396.438 |
| PSA: | 166.55000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :4 ', '6. TPSA 167 ', '7. Heavy Atom Count :26 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :680 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 160-161ºC |
| MF: | C16H16N2O6S2 |
| Exact_Mass: | 396.044983 |
| Molecular_Structure: | ['1 . Molar refractive index 9507 ', '2 . Molar volume 2527 ', '3 . Parachor （902K）7514 ', '4 . Surface tension 781 ', '5 . Polarizability 3769'] |
| Density: | 1.6±0.1 g/cm3 |
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