ChemSpider 2D Image | 6,8-Dihydroxy-3-[(5E,8S)-8-hydroxy-5-nonen-1-yl]-1H-isochromen-1-one | C18H22O5

6,8-Dihydroxy-3-[(5E,8S)-8-hydroxy-5-nonen-1-yl]-1H-isochromen-1-one

  • Molecular FormulaC18H22O5
  • Average mass318.364 Da
  • Monoisotopic mass318.146729 Da
  • ChemSpider ID26387666

  • 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

1H-2-Benzopyran-1-one, 6,8-dihydroxy-3-[(5E,8S)-8-hydroxy-5-nonen-1-yl]- [ACD/Index Name]
6,8-Dihydroxy-3-[(5E,8S)-8-hydroxy-5-nonen-1-yl]-1H-isochromen-1-on [German] [ACD/IUPAC Name]
6,8-Dihydroxy-3-[(5E,8S)-8-hydroxy-5-nonen-1-yl]-1H-isochromen-1-one [ACD/IUPAC Name]
6,8-Dihydroxy-3-[(5E,8S)-8-hydroxy-5-nonén-1-yl]-1H-isochromén-1-one [French] [ACD/IUPAC Name]
fusariumin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 206.2±23.6 °C
Index of Refraction: 1.592
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 618.95
ACD/KOC (pH 5.5): 3439.33
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 190.47
ACD/KOC (pH 7.4): 1058.38
Polar Surface Area: 87 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

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