ChemSpider 2D Image | ent-Voriconazole | C16H14F3N5O

ent-Voriconazole

  • Molecular FormulaC16H14F3N5O
  • Average mass349.310 Da
  • Monoisotopic mass349.115051 Da
  • ChemSpider ID24582089
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol [ACD/IUPAC Name]
(2S,3R)-2-(2,4-Difluorophényl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol [French] [ACD/IUPAC Name]
(2S,3R)-2-(2,4-Difluorphenyl)-3-(5-fluor-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol [German] [ACD/IUPAC Name]
137234-63-0 [RN]
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βR)- [ACD/Index Name]
ent-Voriconazole
(?S,?R)-?-(2,4-difluorophenyl)-5-fluoro-?-methyl-?-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
(2R,3S/2S,3R)-2-(2,4-Difluoro phenyl) -3 -(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4- triazol-1-yl)butan-2-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1Y58LNV43M [DBID]
AIDS045515 [DBID]
AIDS-045515 [DBID]
C07622 [DBID]
D00578 [DBID]
DRG-0301 [DBID]
UK-109,496 [DBID]
UK-109496 [DBID]
UNII:1Y58LNV43M [DBID]
UNII-1Y58LNV43M [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 508.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 261.4±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 85.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.66
ACD/KOC (pH 5.5): 135.08
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 135.47
Polar Surface Area: 77 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 244.7±7.0 cm3

Click to predict properties on the Chemicalize site






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