ChemSpider 2D Image | Methyl 2-[(1S,2R,3R,4S,6S)-2-hydroxy-6-{[2-(hydroxymethyl)acryloyl]oxy}-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylate | C20H28O7

Methyl 2-[(1S,2R,3R,4S,6S)-2-hydroxy-6-{[2-(hydroxymethyl)acryloyl]oxy}-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylate

  • Molecular FormulaC20H28O7
  • Average mass380.432 Da
  • Monoisotopic mass380.183502 Da
  • ChemSpider ID68026548

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(1S,2R,3R,4S,6S)-2-Hydroxy-6-{[2-(hydroxyméthyl)acryloyl]oxy}-3-(3-hydroxy-1-propén-2-yl)-4-méthyl-4-vinylcyclohexyl]acrylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-6-[[2-(hydroxymethyl)-1-oxo-2-propen-1-yl]oxy]-4-methyl-α-methylene-, methyl ester, (1S,2R,3R,4S,6S)- [ACD/Index Name]
Methyl 2-[(1S,2R,3R,4S,6S)-2-hydroxy-6-{[2-(hydroxymethyl)acryloyl]oxy}-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylate [ACD/IUPAC Name]
Methyl-2-[(1S,2R,3R,4S,6S)-2-hydroxy-6-{[2-(hydroxymethyl)acryloyl]oxy}-3-(3-hydroxy-1-propen-2-yl)-4-methyl-4-vinylcyclohexyl]acrylat [German] [ACD/IUPAC Name]
105242-48-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 488.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 162.7±22.2 °C
Index of Refraction: 1.532
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.11
ACD/KOC (pH 5.5): 416.97
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.11
ACD/KOC (pH 7.4): 416.97
Polar Surface Area: 113 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 320.4±5.0 cm3

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