(1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol structure
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Common Name | (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)aMino)-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyriMidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol | ||
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| CAS Number | 1644461-85-7 | Molecular Weight | 538.567 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 821.3±75.0 °C at 760 mmHg | |
| Molecular Formula | C23H28F2N6O5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 450.5±37.1 °C | |
| Name | (1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol |
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| Synonym | More Synonyms |
| Density | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 821.3±75.0 °C at 760 mmHg |
| Molecular Formula | C23H28F2N6O5S |
| Molecular Weight | 538.567 |
| Flash Point | 450.5±37.1 °C |
| Exact Mass | 538.180969 |
| LogP | -1.81 |
| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
| Index of Refraction | 1.770 |
| InChIKey | DXFXDCXSENDSIK-LJCGIFJESA-N |
| SMILES | CCCS(=O)c1nc(NC2CC2c2ccc(F)c(F)c2)c2nnn(C3CC(OCCO)C(O)C3O)c2n1 |
| Storage condition | 2-8°C |
| Water Solubility | Insuluble (7.5E-3 g/L) (25 ºC) |
| (1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfinyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol |
| 1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylsulfinyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)- |
| (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylsulfinyl)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol |