ChemSpider 2D Image | (3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (2E)-3-[4-(4-hydroxybutoxy)phenyl]acrylate | C29H40O7

(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (2E)-3-[4-(4-hydroxybutoxy)phenyl]acrylate

  • Molecular FormulaC29H40O7
  • Average mass500.624 Da
  • Monoisotopic mass500.277405 Da
  • ChemSpider ID9729896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-[4-(4-Hydroxybutoxy)phényl]acrylate de (3R,4S,5S,6R)-5-méthoxy-4-[(2S,3S)-2-méthyl-3-(3-méthyl-2-butén-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (2E)-3-[4-(4-hydroxybutoxy)phenyl]acrylate [ACD/IUPAC Name]
(3R,4S,5S,6R)-5-Methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl-(2E)-3-[4-(4-hydroxybutoxy)phenyl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(4-hydroxybutoxy)phenyl]-, (3R,4S,5S,6R)-5-methoxy-4-[(2S,3S)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester, (2E)- [ACD/Index 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: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 202.6±25.0 °C
Index of Refraction: 1.563
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 560.47
ACD/KOC (pH 5.5): 3228.64
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 560.47
ACD/KOC (pH 7.4): 3228.64
Polar Surface Area: 90 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 422.0±5.0 cm3

Click to predict properties on the Chemicalize site


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