ChemSpider 2D Image | (3E,4S,5R)-4-Hydroxy-3-[(2E)-4-hydroxy-2-buten-1-ylidene]-5-[(1E)-3-hydroxy-1-propen-1-yl]dihydro-2(3H)-furanone | C11H14O5

(3E,4S,5R)-4-Hydroxy-3-[(2E)-4-hydroxy-2-buten-1-ylidene]-5-[(1E)-3-hydroxy-1-propen-1-yl]dihydro-2(3H)-furanone

  • Molecular FormulaC11H14O5
  • Average mass226.226 Da
  • Monoisotopic mass226.084122 Da
  • ChemSpider ID24531943

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3E,4S,5R)-4-Hydroxy-3-[(2E)-4-hydroxy-2-buten-1-yliden]-5-[(1E)-3-hydroxy-1-propen-1-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3E,4S,5R)-4-Hydroxy-3-[(2E)-4-hydroxy-2-buten-1-ylidene]-5-[(1E)-3-hydroxy-1-propen-1-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3E,4S,5R)-4-Hydroxy-3-[(2E)-4-hydroxy-2-butén-1-ylidène]-5-[(1E)-3-hydroxy-1-propén-1-yl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
(3E,4S,5R)-4-Hydroxy-3-[(2E)-4-hydroxybut-2-en-1-ylidene]-5-[(1E)-3-hydroxyprop-1-en-1-yl]dihydrofuran-2(3H)-one
2(3H)-Furanone, dihydro-4-hydroxy-3-[(2E)-4-hydroxy-2-buten-1-ylidene]-5-[(1E)-3-hydroxy-1-propen-1-yl]-, (3E,4S,5R)- [ACD/Index Name]
Eutypellin B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 505.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 201.5±23.6 °C
Index of Refraction: 1.758
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.44
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.44
Polar Surface Area: 87 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 104.0±3.0 dyne/cm
Molar Volume: 148.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement