ChemSpider 2D Image | (1R,4S,5S,6R,8S,9R,10S,12R,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl (2E)-3-(3-chlorophenyl)acrylate | C24H29ClO7

(1R,4S,5S,6R,8S,9R,10S,12R,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl (2E)-3-(3-chlorophenyl)acrylate

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID58909621

  • 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

(1R,4S,5S,6R,8S,9R,10S,12R,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl (2E)-3-(3-chlorophenyl)acrylate [ACD/IUPAC Name]
(1R,4S,5S,6R,8S,9R,10S,12R,13R)-6-Hydroxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl-(2E)-3-(3-chlorphenyl)acrylat [German] [ACD/IUPAC Name]
(2E)-3-(3-Chlorophényl)acrylate de (1R,4S,5S,6R,8S,9R,10S,12R,13R)-6-hydroxy-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-chlorophenyl)-, (3R,5aS,6S,7R,8aS,9R,10S,12R,12aR)-decahydro-7-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.4±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2037.77
ACD/KOC (pH 5.5): 8133.73
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2037.77
ACD/KOC (pH 7.4): 8133.73
Polar Surface Area: 83 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 342.7±5.0 cm3

Click to predict properties on the Chemicalize site


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