ChemSpider 2D Image | 4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(1R,6E,12E,18E,20E)-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]dodecanoic acid | C52H84O14

4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(1R,6E,12E,18E,20E)-3,5,9,11,23-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]dodecanoic acid

  • Molecular FormulaC52H84O14
  • Average mass933.215 Da
  • Monoisotopic mass932.586121 Da
  • ChemSpider ID8549076
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 15 defined stereocentres


More details:






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

4,10-Dimethoxy-5,9-dimethyl-6-oxo-11-[(25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodecansäure [German] [ACD/IUPAC Name]
Acide 4,10-diméthoxy-5,9-diméthyl-6-oxo-11-[(25R)-3,15,17,21,23-pentaméthoxy-5,12,18,24-tétraméthyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaén-11-yl]dodécanoïque [French] [ACD/IUPAC Name]
reidispongiolide C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 948.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.7±6.0 kJ/mol
Flash Point: 257.3±27.8 °C
Index of Refraction: 1.515
Molar Refractivity: 255.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 2642.55
ACD/KOC (pH 5.5): 4908.31
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 41.70
ACD/KOC (pH 7.4): 77.45
Polar Surface Area: 172 Å2
Polarizability: 101.2±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 846.9±5.0 cm3

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