ChemSpider 2D Image | 10-acetylirciformonin B | C24H34O6

10-acetylirciformonin B

  • Molecular FormulaC24H34O6
  • Average mass418.523 Da
  • Monoisotopic mass418.235535 Da
  • ChemSpider ID26645912
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3E,6S,7E,11R)-1-(3-Furyl)-11-hydroxy-4,8-dimethyl-11-[(2S)-2-methyl-5-oxotetrahydro-2-furanyl]-3,7-undecadien-6-yl acetate [ACD/IUPAC Name]
(3E,6S,7E,11R)-1-(3-Furyl)-11-hydroxy-4,8-dimethyl-11-[(2S)-2-methyl-5-oxotetrahydro-2-furanyl]-3,7-undecadien-6-yl-acetat [German] [ACD/IUPAC Name]
10-acetylirciformonin B
2(3H)-Furanone, 5-[(1R,4E,6S,8E)-6-(acetyloxy)-11-(3-furanyl)-1-hydroxy-4,8-dimethyl-4,8-undecadien-1-yl]dihydro-5-methyl-, (5S)- [ACD/Index Name]
Acétate de (3E,6S,7E,11R)-1-(3-furyl)-11-hydroxy-4,8-diméthyl-11-[(2S)-2-méthyl-5-oxotétrahydro-2-furanyl]-3,7-undécadién-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.518
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 491.82
ACD/KOC (pH 5.5): 2940.34
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 491.82
ACD/KOC (pH 7.4): 2940.34
Polar Surface Area: 86 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 376.6±3.0 cm3

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