ChemSpider 2D Image | Methyl (4R,5R)-5-{(1E,3R,7S,8S,9E,11R,12R,13R,14R)-8-hydroxy-14-methoxy-12-[(4-methoxybenzyl)oxy]-3,7,9,11,13-pentamethyl-16-[(2-methyl-2-propanyl)oxy]-16-oxo-1,9-hexadecadien-1-yl}-2,2-dimethyl-1,3-d ioxolane-4-carboxylate | C41H66O10

Methyl (4R,5R)-5-{(1E,3R,7S,8S,9E,11R,12R,13R,14R)-8-hydroxy-14-methoxy-12-[(4-methoxybenzyl)oxy]-3,7,9,11,13-pentamethyl-16-[(2-methyl-2-propanyl)oxy]-16-oxo-1,9-hexadecadien-1-yl}-2,2-dimethyl-1,3-d ioxolane-4-carboxylate

  • Molecular FormulaC41H66O10
  • Average mass718.957 Da
  • Monoisotopic mass718.465576 Da
  • ChemSpider ID74160984

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4R,5R)-5-{(1E,3R,7S,8S,9E,11R,12R,13R,14R)-8-Hydroxy-14-méthoxy-12-[(4-méthoxybenzyl)oxy]-3,7,9,11,13-pentaméthyl-16-[(2-méthyl-2-propanyl)oxy]-16-oxo-1,9-hexadécadién-1-yl}-2,2-diméthyl-1,3-dioxolan e-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,3-Dioxolane-4-carboxylic acid, 5-[(1E,3R,7S,8S,9E,11R,12R,13R,14R)-16-(1,1-dimethylethoxy)-8-hydroxy-14-methoxy-12-[(4-methoxyphenyl)methoxy]-3,7,9,11,13-pentamethyl-16-oxo-1,9-hexadecadien-1-yl]-2, 2-dimethyl-, methyl ester, (4R,5R)- [ACD/Index Name]
Methyl (4R,5R)-5-{(1E,3R,7S,8S,9E,11R,12R,13R,14R)-8-hydroxy-14-methoxy-12-[(4-methoxybenzyl)oxy]-3,7,9,11,13-pentamethyl-16-[(2-methyl-2-propanyl)oxy]-16-oxo-1,9-hexadecadien-1-yl}-2,2-dimethyl-1,3-d ioxolane-4-carboxylate [ACD/IUPAC Name]
Methyl-(4R,5R)-5-{(1E,3R,7S,8S,9E,11R,12R,13R,14R)-8-hydroxy-14-methoxy-12-[(4-methoxybenzyl)oxy]-3,7,9,11,13-pentamethyl-16-[(2-methyl-2-propanyl)oxy]-16-oxo-1,9-hexadecadien-1-yl}-2,2-dimethyl-1,3-d ioxolan-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 726.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 203.7±26.4 °C
Index of Refraction: 1.511
Molar Refractivity: 201.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 9.42
ACD/LogD (pH 5.5): 8.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1567014.88
ACD/LogD (pH 7.4): 8.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1567014.88
Polar Surface Area: 119 Å2
Polarizability: 80.0±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 673.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement