ChemSpider 2D Image | 3-pentenoic acid, 5-[(1R,5R,6Z,9Z,13R,15R)-5-(acetyloxy)-6-[(acetyloxy)methyl]-10-chloro-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methyl-, (3E,5R)- | C25H33ClO10

3-pentenoic acid, 5-[(1R,5R,6Z,9Z,13R,15R)-5-(acetyloxy)-6-[(acetyloxy)methyl]-10-chloro-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methyl-, (3E,5R)-

  • Molecular FormulaC25H33ClO10
  • Average mass528.977 Da
  • Monoisotopic mass528.176208 Da
  • ChemSpider ID21431301

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-pentenoic acid, 5-[(1R,5R,6Z,9Z,13R,15R)-5-(acetyloxy)-6-[(acetyloxy)methyl]-10-chloro-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methyl-, (3E,5R)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 16.46
ACD/KOC (pH 5.5): 121.82
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 146 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 400.8±5.0 cm3

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