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ChemSpider 2D Image | Methyl (5R,6R)-2-[(diethoxyphosphoryl)oxy]-6-[(1E)-3-hydroxy-1-propen-1-yl]-5-isopropyl-1-cyclohexene-1-carboxylate | C18H31O7P

Methyl (5R,6R)-2-[(diethoxyphosphoryl)oxy]-6-[(1E)-3-hydroxy-1-propen-1-yl]-5-isopropyl-1-cyclohexene-1-carboxylate

  • Molecular FormulaC18H31O7P
  • Average mass390.408 Da
  • Monoisotopic mass390.180725 Da
  • ChemSpider ID26569201
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(5R,6R)-2-[(Diéthoxyphosphoryl)oxy]-6-[(1E)-3-hydroxy-1-propén-1-yl]-5-isopropyl-1-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 2-[(diethoxyphosphinyl)oxy]-6-[(1E)-3-hydroxy-1-propen-1-yl]-5-(1-methylethyl)-, methyl ester, (5R,6R)- [ACD/Index Name]
Methyl (5R,6R)-2-[(diethoxyphosphoryl)oxy]-6-[(1E)-3-hydroxy-1-propen-1-yl]-5-isopropyl-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-(5R,6R)-2-[(diethoxyphosphoryl)oxy]-6-[(1E)-3-hydroxy-1-propen-1-yl]-5-isopropyl-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 227.2±28.7 °C
Index of Refraction: 1.490
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.78
ACD/KOC (pH 5.5): 770.88
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.78
ACD/KOC (pH 7.4): 770.88
Polar Surface Area: 101 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 338.7±5.0 cm3

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