ChemSpider 2D Image | 3-[({3-Hydroxy-6-[(1Z)-3-hydroxy-2-(6-{(2E)-4-[5'-(1-hydroxypropyl)-2,4-dimethyloctahydro-2,2'-bifuran-5-yl]-2-buten-2-yl}-5-methyltetrahydro-2H-pyran-2-yl)-1-propen-1-yl]-2-(hydroxymethyl)-4-methylcy clohexyl}methoxy)acetyl]-5-methylene-2,4(3H,5H)-furandione | C42H64O12

3-[({3-Hydroxy-6-[(1Z)-3-hydroxy-2-(6-{(2E)-4-[5'-(1-hydroxypropyl)-2,4-dimethyloctahydro-2,2'-bifuran-5-yl]-2-buten-2-yl}-5-methyltetrahydro-2H-pyran-2-yl)-1-propen-1-yl]-2-(hydroxymethyl)-4-methylcy clohexyl}methoxy)acetyl]-5-methylene-2,4(3H,5H)-furandione

  • Molecular FormulaC42H64O12
  • Average mass760.950 Da
  • Monoisotopic mass760.439758 Da
  • ChemSpider ID57487420

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4(3H,5H)-Furandione, 3-[2-[[3-hydroxy-2-(hydroxymethyl)-6-[(1Z)-3-hydroxy-2-[tetrahydro-5-methyl-6-[(1E)-1-methyl-3-[octahydro-5'-(1-hydroxypropyl)-2,4-dimethyl[2,2'-bifuran]-5-yl]-1-propen-1-yl]-2H -pyran-2-yl]-1-propen-1-yl]-4-methylcyclohexyl]methoxy]acetyl]-5-methylene- [ACD/Index Name]
3-[({3-Hydroxy-6-[(1Z)-3-hydroxy-2-(6-{(2E)-4-[5'-(1-hydroxypropyl)-2,4-dimethyloctahydro-2,2'-bifuran-5-yl]-2-buten-2-yl}-5-methyltetrahydro-2H-pyran-2-yl)-1-propen-1-yl]-2-(hydroxymethyl)-4-methylcy clohexyl}methoxy)acetyl]-5-methylen-2,4(3H,5H)-furandion [German] [ACD/IUPAC Name]
3-[({3-Hydroxy-6-[(1Z)-3-hydroxy-2-(6-{(2E)-4-[5'-(1-hydroxypropyl)-2,4-dimethyloctahydro-2,2'-bifuran-5-yl]-2-buten-2-yl}-5-methyltetrahydro-2H-pyran-2-yl)-1-propen-1-yl]-2-(hydroxymethyl)-4-methylcy clohexyl}methoxy)acetyl]-5-methylene-2,4(3H,5H)-furandione [ACD/IUPAC Name]
3-[2-({3-Hydroxy-6-[(1Z)-3-hydroxy-2-(6-{(2E)-4-[5'-(1-hydroxypropyl)-2,4-diméthyloctahydro-2,2'-bifuran-5-yl]-2-butén-2-yl}-5-méthyltétrahydro-2H-pyran-2-yl)-1-propén-1-yl]-2-(hydroxyméthyl)-4-méthyl cyclohexyl}méthoxy)acétyl]-5-méthylène-2,4(3H,5H)-furanedione [French] [ACD/IUPAC Name]
2,4(3H,5H)-FURANDIONE, 3-[[3-HYDROXY-2-(HYDROXYMETHYL)-6-[3-HYDROXY-2-[TETRAHYDRO-5-METHYL-6-[1-METHYL-3-[OCTAHYDRO-5'-(1-HYDROXYPROPYL)-2,4-DIMETHYL[2,2'-BIFURAN]-5-YL]-1-PROPENYL]-2H-PYRAN-2-YL]-1-PROPENYL]-4-METHYLCYCLOHEXYL]METHOXYACETYL]-5-METHYLENE-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 882.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.7±6.0 kJ/mol
Flash Point: 259.2±27.8 °C
Index of Refraction: 1.562
Molar Refractivity: 200.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 129.46
ACD/KOC (pH 5.5): 874.33
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 24.96
Polar Surface Area: 178 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 617.1±5.0 cm3

Click to predict properties on the Chemicalize site


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