ChemSpider 2D Image | (2R)-2-[(3S,6R)-6-Methyl-6-(2-{(2S,3S)-3-methyl-3-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethyl]-2-oxiranyl}ethyl)-1,2-dioxan-3-yl]propanoic acid | C24H40O5

(2R)-2-[(3S,6R)-6-Methyl-6-(2-{(2S,3S)-3-methyl-3-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethyl]-2-oxiranyl}ethyl)-1,2-dioxan-3-yl]propanoic acid

  • Molecular FormulaC24H40O5
  • Average mass408.571 Da
  • Monoisotopic mass408.287567 Da
  • ChemSpider ID30771239

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-2-[(3S,6R)-6-Methyl-6-(2-{(2S,3S)-3-methyl-3-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethyl]-2-oxiranyl}ethyl)-1,2-dioxan-3-yl]propanoic acid [ACD/IUPAC Name]
(2R)-2-[(3S,6R)-6-Methyl-6-(2-{(2S,3S)-3-methyl-3-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethyl]-2-oxiranyl}ethyl)-1,2-dioxan-3-yl]propansäure [German] [ACD/IUPAC Name]
1,2-Dioxane-3-acetic acid, α,6-dimethyl-6-[2-[(2S,3S)-3-methyl-3-[2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethyl]oxiranyl]ethyl]-, (αR,3S,6R)- [ACD/Index Name]
Acide (2R)-2-[(3S,6R)-6-méthyl-6-(2-{(2S,3S)-3-méthyl-3-[2-(2,6,6-triméthyl-1-cyclohexén-1-yl)éthyl]-2-oxiranyl}éthyl)-1,2-dioxan-3-yl]propanoïque [French] [ACD/IUPAC Name]
9,10-epoxymuqubilin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.3±6.0 kJ/mol
Flash Point: 156.7±14.7 °C
Index of Refraction: 1.481
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 1189.19
ACD/KOC (pH 5.5): 2614.14
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 19.02
ACD/KOC (pH 7.4): 41.81
Polar Surface Area: 68 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement