ChemSpider 2D Image | {(2R,4Z)-4-[(5R)-5-Methyl-5-[(2R)-2-methylbutyl]-2(5H)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid | C16H20O6

{(2R,4Z)-4-[(5R)-5-Methyl-5-[(2R)-2-methylbutyl]-2(5H)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID28287707

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2R,4Z)-4-[(5R)-5-Methyl-5-[(2R)-2-methylbutyl]-2(5H)-furanyliden]-3,5-dioxotetrahydro-2-furanyl}essigsäure [German] [ACD/IUPAC Name]
{(2R,4Z)-4-[(5R)-5-Methyl-5-[(2R)-2-methylbutyl]-2(5H)-furanylidene]-3,5-dioxotetrahydro-2-furanyl}acetic acid [ACD/IUPAC Name]
2-Furanacetic acid, tetrahydro-4-[(5R)-5-methyl-5-[(2R)-2-methylbutyl]-2(5H)-furanylidene]-3,5-dioxo-, (2R,4Z)- [ACD/Index Name]
Acide {(2R,4Z)-4-[(5R)-5-méthyl-5-[(2R)-2-méthylbutyl]-2(5H)-furanylidène]-3,5-dioxotétrahydro-2-furanyl}acétique [French] [ACD/IUPAC Name]
nodulisporacid A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 189.0±23.6 °C
Index of Refraction: 1.530
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.40
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 246.8±3.0 cm3

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