ChemSpider 2D Image | Iriomoteolide-3a | C25H38O6

Iriomoteolide-3a

  • Molecular FormulaC25H38O6
  • Average mass434.566 Da
  • Monoisotopic mass434.266846 Da
  • ChemSpider ID23078562

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3S,7S,9E,11S,12S,13E,15S)-11,12-Dihydroxy-3-[(1S,3R,4E,7E)-1-hydroxy-3-methyl-4,7-nonadien-1-yl]-7-methyl-4,16-dioxabicyclo[13.1.0]hexadeca-9,13-dien-5-on [German] [ACD/IUPAC Name]
(1S,3S,7S,9E,11S,12S,13E,15S)-11,12-Dihydroxy-3-[(1S,3R,4E,7E)-1-hydroxy-3-methyl-4,7-nonadien-1-yl]-7-methyl-4,16-dioxabicyclo[13.1.0]hexadeca-9,13-dien-5-one [ACD/IUPAC Name]
(1S,3S,7S,9E,11S,12S,13E,15S)-11,12-Dihydroxy-3-[(1S,3R,4E,7E)-1-hydroxy-3-méthyl-4,7-nonadién-1-yl]-7-méthyl-4,16-dioxabicyclo[13.1.0]hexadéca-9,13-dién-5-one [French] [ACD/IUPAC Name]
4,16-Dioxabicyclo[13.1.0]hexadeca-9,13-dien-5-one, 11,12-dihydroxy-3-[(1S,3R,4E,7E)-1-hydroxy-3-methyl-4,7-nonadien-1-yl]-7-methyl-, (1S,3S,7S,9E,11S,12S,13E,15S)- [ACD/Index Name]
Iriomoteolide-3a
iriomoteolide 3a

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

Density: 1.1±0.1 g/cm3
Boiling Point: 636.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±6.0 kJ/mol
Flash Point: 210.6±25.0 °C
Index of Refraction: 1.522
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.96
ACD/KOC (pH 5.5): 772.21
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.96
ACD/KOC (pH 7.4): 772.21
Polar Surface Area: 100 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

Click to predict properties on the Chemicalize site


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