ChemSpider 2D Image | (2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-~13~C,4,4,4-~2~H_3_)butanol | C1513CH11D3F3N5O

(2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-13C,4,4,4-2H3)butanol

  • Molecular FormulaC1513CH11D3F3N5O
  • Average mass353.322 Da
  • Monoisotopic mass353.137238 Da
  • ChemSpider ID76920558

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-13C,4,4,4-2H3)butanol [ACD/IUPAC Name]
(2R,3R)-2-(2,4-Difluorophényl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-13C,4,4,4-2H3)butanol [French] [ACD/IUPAC Name]
(2R,3R)-2-(2,4-Difluorphenyl)-3-(5-fluor-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-(4-13C,4,4,4-2H3)butanol [German] [ACD/IUPAC Name]
4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-(methyl-13C-d3)-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 85.6±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
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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