ChemSpider 2D Image | (3S,5S,8R,13R)-15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.0~1,13~.0~4,8~]heptadec-9-en-3-yl methacrylate | C19H24O7

(3S,5S,8R,13R)-15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl methacrylate

  • Molecular FormulaC19H24O7
  • Average mass364.390 Da
  • Monoisotopic mass364.152191 Da
  • ChemSpider ID57641852
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 7 defined stereocentres


More details:






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

(3S,5S,8R,13R)-15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl methacrylate [ACD/IUPAC Name]
(3S,5S,8R,13R)-15-Hydroxy-5-methyl-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-ylmethacrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (1aR,5aR,8S,9S)-1a,2,5a,7,8,8a,9,10-octahydro-11-hydroxy-8-methyl-7-oxo-3H-4,10a-(methanooxymethano)oxireno[5,6]cyclodeca[1,2-b]furan-9-yl ester [ACD/Index Name]
Méthacrylate de (3S,5S,8R,13R)-15-hydroxy-5-méthyl-6-oxo-7,14,16-trioxatétracyclo[8.4.3.01,13.04,8]heptadéc-9-én-3-yle [French] [ACD/IUPAC Name]
105229-54-7 [RN]
11[β],13-Dihydrovernolide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 577.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 207.4±23.6 °C
Index of Refraction: 1.568
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.92
ACD/KOC (pH 5.5): 139.00
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.92
ACD/KOC (pH 7.4): 139.00
Polar Surface Area: 95 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 274.1±5.0 cm3

Click to predict properties on the Chemicalize site






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