ChemSpider 2D Image | (2R,3R)-2-(2,4-Difluorophenyl)-3-[(trans-2-{(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl}-1,3-dioxan-5-yl)phosphino]-1-(1H-1,2,4-triazol-1-yl)-2-butanol | C29H30F6N3O4P

(2R,3R)-2-(2,4-Difluorophenyl)-3-[(trans-2-{(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl}-1,3-dioxan-5-yl)phosphino]-1-(1H-1,2,4-triazol-1-yl)-2-butanol

  • Molecular FormulaC29H30F6N3O4P
  • Average mass629.530 Da
  • Monoisotopic mass629.187805 Da
  • ChemSpider ID34523120

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R)-2-(2,4-Difluorophenyl)-3-[(trans-2-{(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl}-1,3-dioxan-5-yl)phosphino]-1-(1H-1,2,4-triazol-1-yl)-2-butanol [ACD/IUPAC Name]
(2R,3R)-2-(2,4-Difluorophényl)-3-[(trans-2-{(1E,3E)-4-[4-(2,2,3,3-tétrafluoropropoxy)phényl]-1,3-butadién-1-yl}-1,3-dioxan-5-yl)phosphino]-1-(1H-1,2,4-triazol-1-yl)-2-butanol [French] [ACD/IUPAC Name]
(2R,3R)-2-(2,4-Difluorphenyl)-3-[(trans-2-{(1E,3E)-4-[4-(2,2,3,3-tetrafluorpropoxy)phenyl]-1,3-butadien-1-yl}-1,3-dioxan-5-yl)phosphino]-1-(1H-1,2,4-triazol-1-yl)-2-butanol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-[(1R)-1-[[trans-2-[(1E,3E)-4-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-1,3-butadien-1-yl]-1,3-dioxan-5-yl]phosphino]ethyl]-, (αR)- [ACD/Index Name]

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

Density:
Boiling Point: 734.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 398.2±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 79 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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