ChemSpider 2D Image | (2R,4aS,10aS)-4a-Benzyl-7-[(2-methyl-3-pyridinyl)carbamoyl]-2-(trifluoromethyl)-1,2,3,4,4a,9,10,10a-octahydro-2-phenanthrenyl dihydrogen phosphate | C29H30F3N2O5P

(2R,4aS,10aS)-4a-Benzyl-7-[(2-methyl-3-pyridinyl)carbamoyl]-2-(trifluoromethyl)-1,2,3,4,4a,9,10,10a-octahydro-2-phenanthrenyl dihydrogen phosphate

  • Molecular FormulaC29H30F3N2O5P
  • Average mass574.528 Da
  • Monoisotopic mass574.184448 Da
  • ChemSpider ID128949721

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4aS,10aS)-4a-Benzyl-7-[(2-methyl-3-pyridinyl)carbamoyl]-2-(trifluormethyl)-1,2,3,4,4a,9,10,10a-octahydro-2-phenanthrenyldihydrogenphosphat [German] [ACD/IUPAC Name]
(2R,4aS,10aS)-4a-Benzyl-7-[(2-methyl-3-pyridinyl)carbamoyl]-2-(trifluoromethyl)-1,2,3,4,4a,9,10,10a-octahydro-2-phenanthrenyl dihydrogen phosphate [ACD/IUPAC Name]
2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(phosphonooxy)-7-(trifluoromethyl)-, (4bS,7R,8aS)- [ACD/Index Name]
Dihydrogénophosphate de (2R,4aS,10aS)-4a-benzyl-7-[(2-méthyl-3-pyridinyl)carbamoyl]-2-(trifluorométhyl)-1,2,3,4,4a,9,10,10a-octahydro-2-phénanthrényle [French] [ACD/IUPAC 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: 1.613
Molar Refractivity: 141.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.62
ACD/KOC (pH 5.5): 7.88
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

Click to predict properties on the Chemicalize site


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