ChemSpider 2D Image | Methyl 4-(9-acetoxy-2-{5'-[6-(acetoxymethyl)-6-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylp entanoate | C41H68O13

Methyl 4-(9-acetoxy-2-{5'-[6-(acetoxymethyl)-6-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylp entanoate

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID546911

More details:

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

1,6-Dioxaspiro[4.5]decane-7-butanoic acid, 9-(acetyloxy)-2-[5'-[6-[(acetyloxy)methyl]tetrahydro-6-hydroxy-3,5-dimethyl-2H-pyran-2-yl]-2-ethyloctahydro-3'-methyl[2,2'-bifuran]-5-yl]-β-methoxy-α, γ,2,8-tetramethyl-, methyl ester [ACD/Index Name]
4-(9-Acétoxy-2-{5'-[6-(acétoxyméthyl)-6-hydroxy-3,5-diméthyltétrahydro-2H-pyran-2-yl]-2-éthyl-3'-méthyloctahydro-2,2'-bifuran-5-yl}-2,8-diméthyl-1,6-dioxaspiro[4.5]déc-7-yl)-3-méthoxy-2-méthylpentanoa te de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(9-acetoxy-2-{5'-[6-(acetoxymethyl)-6-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylp entanoate [ACD/IUPAC Name]
Methyl-4-(9-acetoxy-2-{5'-[6-(acetoxymethyl)-6-hydroxy-3,5-dimethyltetrahydro-2H-pyran-2-yl]-2-ethyl-3'-methyloctahydro-2,2'-bifuran-5-yl}-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl)-3-methoxy-2-methylp entanoat [German] [ACD/IUPAC Name]
1,6-Dioxaspiro[4.5]decane-7-butyric acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-β-methoxy-α,γ,2,8-tetramethyl-, methyl ester, diacetate
Diacetylmonensin methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 215.3±26.4 °C
Index of Refraction: 1.522
Molar Refractivity: 199.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5639.08
ACD/KOC (pH 5.5): 16854.15
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5639.00
ACD/KOC (pH 7.4): 16853.90
Polar Surface Area: 155 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 652.3±5.0 cm3

Click to predict properties on the Chemicalize site


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