ChemSpider 2D Image | 5-Hydroxy-4-[{3-hydroxy-6-[(1E)-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 -methylcyclohexyl}(methoxy)acetyl]-2-methylene-3(2H)-furanone | C42H64O12

5-Hydroxy-4-[{3-hydroxy-6-[(1E)-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 -methylcyclohexyl}(methoxy)acetyl]-2-methylene-3(2H)-furanone

  • Molecular FormulaC42H64O12
  • Average mass760.950 Da
  • Monoisotopic mass760.439758 Da
  • ChemSpider ID8137798

  • Double-bond stereo - Double-bond stereo

More details:

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

3(2H)-Furanone, 5-hydroxy-4-[2-[3-hydroxy-2-(hydroxymethyl)-6-[(1E)-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]-2-methoxyacetyl]-2-methylene- [ACD/Index Name]
5-Hydroxy-4-(2-{3-hydroxy-6-[(1E)-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-méthylcyclohexyl}-2-méthoxyacétyl)-2-méthylène-3(2H)-furanone [French] [ACD/IUPAC Name]
5-Hydroxy-4-[{3-hydroxy-6-[(1E)-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 -methylcyclohexyl}(methoxy)acetyl]-2-methylen-3(2H)-furanon [German] [ACD/IUPAC Name]
5-Hydroxy-4-[{3-hydroxy-6-[(1E)-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 -methylcyclohexyl}(methoxy)acetyl]-2-methylene-3(2H)-furanone [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 858.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 251.0±27.8 °C
Index of Refraction: 1.572
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 11.92
ACD/KOC (pH 5.5): 103.84
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 181 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 610.6±5.0 cm3

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