ChemSpider 2D Image | 3-(2-Hydroxy-7-{5-[(8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}heptyl)-5-methyl-2(5H)-furanone | C37H66O7

3-(2-Hydroxy-7-{5-[(8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}heptyl)-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID28540472

  • Double-bond stereo - Double-bond stereo

More details:

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

2(5H)-Furanone, 3-[2-hydroxy-7-[tetrahydro-5-[(8Z)-1,4,5-trihydroxy-8-heneicosen-1-yl]-2-furanyl]heptyl]-5-methyl- [ACD/Index Name]
3-(2-Hydroxy-7-{5-[(8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}heptyl)-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(2-Hydroxy-7-{5-[(8Z)-1,4,5-trihydroxy-8-henicosen-1-yl]tetrahydro-2-furanyl}heptyl)-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
3-(2-Hydroxy-7-{5-[(8Z)-1,4,5-trihydroxy-8-hénicosén-1-yl]tétrahydro-2-furanyl}heptyl)-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
145403-31-2 [RN]
3-(2-hydroxy-7-{5-[(8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl]tetrahydrofuran-2-yl}heptyl)-5-methylfuran-2(5H)-one
Gigantetronenin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 230.6±26.4 °C
Index of Refraction: 1.509
Molar Refractivity: 178.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 361422.63
ACD/KOC (pH 5.5): 331131.47
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 361422.63
ACD/KOC (pH 7.4): 331131.47
Polar Surface Area: 116 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 597.4±3.0 cm3

Click to predict properties on the Chemicalize site


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