ChemSpider 2D Image | fosravuconazole | C23H20F2N5O5PS

fosravuconazole

  • Molecular FormulaC23H20F2N5O5PS
  • Average mass547.471 Da
  • Monoisotopic mass547.089111 Da
  • ChemSpider ID7983266

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{[(2R,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanyl]oxy}methyl dihydrogen phosphate [ACD/IUPAC Name]
{[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]oxy}methyl dihydrogen phosphate
{[(2R,3R)-3-[4-(4-Cyanphenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorphenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanyl]oxy}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
351227-64-0 [RN]
4-[2-[(1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-[(phosphonooxy)methoxy]-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile
Benzonitrile, 4-[2-[(1R,2R)-2-(2,4-difluorophenyl)-1-methyl-2-[(phosphonooxy)methoxy]-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]- [ACD/Index Name]
Dihydrogénophosphate de {[(2R,3R)-3-[4-(4-cyanophényl)-1,3-thiazol-2-yl]-2-(2,4-difluorophényl)-1-(1H-1,2,4-triazol-1-yl)-2-butanyl]oxy}méthyle [French] [ACD/IUPAC Name]
fosravuconazol [Spanish] [INN]
fosravuconazole [INN]
fosravuconazole [French] [INN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BMS 379224 [DBID]
C14817 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 783.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.8±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 133.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 360.0±7.0 cm3

Click to predict properties on the Chemicalize site


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