ChemSpider 2D Image | Aspulvinone H | C27H28O5

Aspulvinone H

  • Molecular FormulaC27H28O5
  • Average mass432.508 Da
  • Monoisotopic mass432.193665 Da
  • ChemSpider ID21864823

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-4-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-5-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methylene]-2(5H)-furanone
(5Z)-4-Hydroxy-5-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzyliden]-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-4-Hydroxy-5-[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzylidene]-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-4-Hydroxy-5-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzylidène]-3-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)phényl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 4-hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-5-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methylene]-, (5Z)- [ACD/Index Name]
57744-69-1 [RN]
Aspulvinone H
4-hydroxy-5-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]furan-2(5H)-one

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

C02008 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 211.8±25.0 °C
Index of Refraction: 1.662
Molar Refractivity: 126.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 4550.72
ACD/KOC (pH 5.5): 7318.77
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 77.36
ACD/KOC (pH 7.4): 124.41
Polar Surface Area: 87 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

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