ChemSpider 2D Image | isofurospongin-4 | C26H36O5

isofurospongin-4

  • Molecular FormulaC26H36O5
  • Average mass428.561 Da
  • Monoisotopic mass428.256287 Da
  • ChemSpider ID26631755

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6Z,10E,14E)-17-(3-Furyl)-6-(methoxycarbonyl)-2,10,14-trimethyl-2,6,10,14-heptadecatetraenoic acid [ACD/IUPAC Name]
(2E,6Z,10E,14E)-17-(3-Furyl)-6-(methoxycarbonyl)-2,10,14-trimethyl-2,6,10,14-heptadecatetraensäure [German] [ACD/IUPAC Name]
2-Heptenedioic acid, 6-[(4E,8E)-11-(3-furanyl)-4,8-dimethyl-4,8-undecadien-1-ylidene]-2-methyl-, 7-methyl ester, (2E,6Z)- [ACD/Index Name]
Acide (2E,6Z,10E,14E)-17-(3-furyl)-6-(méthoxycarbonyl)-2,10,14-triméthyl-2,6,10,14-heptadécatétraénoïque [French] [ACD/IUPAC Name]
isofurospongin-4
(2E,6Z,10E,14E)-17-(furan-3-yl)-6-methoxycarbonyl-2,10,14-trimethylheptadeca-2,6,10,14-tetraenoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 573.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.5±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 7.82
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 25892.60
ACD/KOC (pH 5.5): 31889.16
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 429.89
ACD/KOC (pH 7.4): 529.45
Polar Surface Area: 77 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

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