ChemSpider 2D Image | (5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-2(5H)-furanone | C21H26O4

(5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-2(5H)-furanone

  • Molecular FormulaC21H26O4
  • Average mass342.429 Da
  • Monoisotopic mass342.183105 Da
  • ChemSpider ID24680277

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-(2,5-Dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-(2,5-Dihydroxyphényl)-3-[(3E)-4,8-diméthyl-3,7-nonadién-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-(2,5-dihydroxyphenyl)-3-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-, (5S)- [ACD/Index Name]
ganomycin I

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

Density: 1.1±0.1 g/cm3
Boiling Point: 521.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 180.5±23.6 °C
Index of Refraction: 1.569
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1053.36
ACD/KOC (pH 5.5): 5071.64
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1045.97
ACD/KOC (pH 7.4): 5036.08
Polar Surface Area: 67 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 301.6±3.0 cm3

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