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Posaconazole Diastereoisomer Related Compound 5
[CAS# 149809-42-7]

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Identification
Name Posaconazole Diastereoisomer Related Compound 5
Synonyms [(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
Molecular Structure CAS # 149809-42-7, Posaconazole Diastereoisomer Related Compound 5, [(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
Molecular Formula C21H21F2N3O4S
Molecular Weight 449.47
CAS Registry Number 149809-42-7
SMILES CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2C[C@@](OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)F
Properties
Solubility 1.768 mg/L (25 ºC water)
Density 1.4±0.1 g/cm3, Calc.*
Index of Refraction 1.616, Calc.*
Melting point 229.35 ºC
Boiling Point 535.86 ºC, 608.1±65.0 ºC (760 mmHg), Calc.*
Flash Point 321.6±34.3 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302+H312+H332-H315-H319    Details
Precautionary Statements P261-P271-P280-P302+P352-P305+P351+P338    Details
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Related Products
Potassium bisulfate  Potassium (4-Boc-piperazin-1-yl)methyltrifluoroborate  Potassium borate  Potassium borohydride  Potassium bromate  Potassium bromide  Posaconazole Diastereoisomer 6 (R,R,R,S)  Posaconazole Diastereoisomer 5 (S,R,R,S)  Posaconazole Diastereoisomer Related Compound 3  Posaconazole Diastereoisomer Related Compound 4  Posaconazole Enantiomer 1  Posaconazole Impurity 45 (S,R,S,S)  Posaconazole Impurity 115  Posaconazole impurity 18  Posaconazole impurity 23  Posaconazole Impurity 24  Posaconazole Impurity 31  Posaconazole Impurity 35  Posaconazole Impurity 36  Posaconazole Impurity 44