ChemSpider 2D Image | (2S,4aR,6E,9S,10aS)-9-Methyl-2-phenyl-4,4a,8,9,10,10a-hexahydro[1,3]dioxino[5,4-b]oxocin-6-yl diphenyl phosphate | C28H29O7P

(2S,4aR,6E,9S,10aS)-9-Methyl-2-phenyl-4,4a,8,9,10,10a-hexahydro[1,3]dioxino[5,4-b]oxocin-6-yl diphenyl phosphate

  • Molecular FormulaC28H29O7P
  • Average mass508.499 Da
  • Monoisotopic mass508.165100 Da
  • ChemSpider ID9960163

  • 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

(2S,4aR,6E,9S,10aS)-9-Methyl-2-phenyl-4,4a,8,9,10,10a-hexahydro[1,3]dioxino[5,4-b]oxocin-6-yl diphenyl phosphate [ACD/IUPAC Name]
(2S,4aR,6E,9S,10aS)-9-Methyl-2-phenyl-4,4a,8,9,10,10a-hexahydro[1,3]dioxino[5,4-b]oxocin-6-yl-diphenylphosphat [German] [ACD/IUPAC Name]
Phosphate de (2S,4aR,6E,9S,10aS)-9-méthyl-2-phényl-4,4a,8,9,10,10a-hexahydro[1,3]dioxino[5,4-b]oxocin-6-yle et de diphényle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 332.9±51.8 °C
Index of Refraction: 1.606
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14469.02
ACD/KOC (pH 5.5): 33084.91
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14469.02
ACD/KOC (pH 7.4): 33084.91
Polar Surface Area: 82 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 392.0±5.0 cm3

Click to predict properties on the Chemicalize site


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