ChemSpider 2D Image | (3R,4S,5S,6R,7R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-7-pentyl-1-oxaspiro[2.5]oct-6-yl (2Z)-3-(3,4,5-trimethoxyphenyl)acrylate | C33H50O8

(3R,4S,5S,6R,7R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-7-pentyl-1-oxaspiro[2.5]oct-6-yl (2Z)-3-(3,4,5-trimethoxyphenyl)acrylate

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID8296353

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2Z)-3-(3,4,5-Triméthoxyphényl)acrylate de (3R,4S,5S,6R,7R)-5-méthoxy-4-[(3R)-2-méthyl-3-(3-méthylbutyl)-2-oxiranyl]-7-pentyl-1-oxaspiro[2.5]oct-6-yle [French] [ACD/IUPAC Name]
(3R,4S,5S,6R,7R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-7-pentyl-1-oxaspiro[2.5]oct-6-yl (2Z)-3-(3,4,5-trimethoxyphenyl)acrylate [ACD/IUPAC Name]
(3R,4S,5S,6R,7R)-5-Methoxy-4-[(3R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-7-pentyl-1-oxaspiro[2.5]oct-6-yl-(2Z)-3-(3,4,5-trimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (3R,4S,5S,6R,7R)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbutyl)oxiranyl]-7-pentyl-1-oxaspiro[2.5]oct-6-yl ester, (2Z)- [ACD/Index 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: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 265.2±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 32883.30
ACD/KOC (pH 5.5): 59543.60
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 32883.30
ACD/KOC (pH 7.4): 59543.60
Polar Surface Area: 88 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 508.1±5.0 cm3

Click to predict properties on the Chemicalize site


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