ChemSpider 2D Image | (8E,10E,14E,16R,17R)-6-Hydroxy-4,14,16-trimethyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,19-dimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-8,10,14-octadecatrien
oic acid | C45H76O10

(8E,10E,14E,16R,17R)-6-Hydroxy-4,14,16-trimethyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,19-dimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-8,10,14-octadecatrien oic acid

  • Molecular FormulaC45H76O10
  • Average mass777.079 Da
  • Monoisotopic mass776.543823 Da
  • ChemSpider ID78440583
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 12 defined stereocentres


More details:






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

(8E,10E,14E,16R,17R)-6-Hydroxy-4,14,16-trimethyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,19-dimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-8,10,14-octadecatrien oic acid [ACD/IUPAC Name]
(8E,10E,14E,16R,17R)-6-Hydroxy-4,14,16-trimethyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,19-dimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-8,10,14-octadecatrien säure [German] [ACD/IUPAC Name]
8,10,14-Octadecatrienoic acid, 6-hydroxy-4,14,16-trimethyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,19-dimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]-, (8E,10E,1 4E,16R,17R)- [ACD/Index Name]
Acide (8E,10E,14E,16R,17R)-6-hydroxy-4,14,16-triméthyl-17-[(2S,4R,8S,10Z,12E,15S,16S,18R,19S,20R)-4,16,18,20-tétrahydroxy-8-méthoxy-15,19-diméthyl-22-oxooxacyclodocosa-10,12-dién-2-yl]-8,10,14-octadéc atriénoïque [French] [ACD/IUPAC Name]
Gladiolin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 910.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.2±6.0 kJ/mol
Flash Point: 258.5±27.8 °C
Index of Refraction: 1.539
Molar Refractivity: 220.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 5158.30
ACD/KOC (pH 5.5): 9224.48
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 82.25
ACD/KOC (pH 7.4): 147.08
Polar Surface Area: 174 Å2
Polarizability: 87.4±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 703.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement