ChemSpider 2D Image | (12E,20Z,18S)-8-hydroxyvariabilin | C25H36O5

(12E,20Z,18S)-8-hydroxyvariabilin

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID23339996

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12E,20Z,18S)-8-hydroxyvariabilin
(5Z)-5-[(2S,6E)-13-(3-Furyl)-10-hydroxy-2,6,10-trimethyl-6-tridecen-1-yliden]-4-hydroxy-3-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5Z)-5-[(2S,6E)-13-(3-Furyl)-10-hydroxy-2,6,10-trimethyl-6-tridecen-1-ylidene]-4-hydroxy-3-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5Z)-5-[(2S,6E)-13-(3-Furyl)-10-hydroxy-2,6,10-triméthyl-6-tridécén-1-ylidène]-4-hydroxy-3-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2S,6E)-13-(3-furanyl)-10-hydroxy-2,6,10-trimethyl-6-tridecen-1-ylidene]-4-hydroxy-3-methyl-, (5Z)- [ACD/Index Name]
(5Z)-5-[(2S,6E)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-en-1-ylidene]-4-hydroxy-3-methyl-2,5-dihydrofuran-2-one
(5Z)-5-[(2S,6E)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-en-1-ylidene]-4-hydroxy-3-methylfuran-2(5H)-one
5-((2S)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-enylidene)-4-hydroxy-3-methylfuran-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464651/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.6±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 497.98
ACD/KOC (pH 5.5): 1502.05
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 8.59
ACD/KOC (pH 7.4): 25.91
Polar Surface Area: 80 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 365.7±3.0 cm3

Click to predict properties on the Chemicalize site


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