ChemSpider 2D Image | 9-({(2E)-4-[3,8-Dihydroxy-2-(3-hydroxy-2-butanyl)hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-2-butenoyl}oxy)nonanoate | C26H43O9

9-({(2E)-4-[3,8-Dihydroxy-2-(3-hydroxy-2-butanyl)hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-2-butenoyl}oxy)nonanoate

  • Molecular FormulaC26H43O9
  • Average mass499.615 Da
  • Monoisotopic mass499.291260 Da
  • ChemSpider ID95641056

  • Charge - Charge

More details:

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

9-({(2E)-4-[3,8-Dihydroxy-2-(3-hydroxy-2-butanyl)hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-2-butenoyl}oxy)nonanoat [German] [ACD/IUPAC Name]
9-({(2E)-4-[3,8-Dihydroxy-2-(3-hydroxy-2-butanyl)hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-2-butenoyl}oxy)nonanoate [ACD/IUPAC Name]
9-({(2E)-4-[3,8-Dihydroxy-2-(3-hydroxy-2-butanyl)hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-méthyl-2-butenoyl}oxy)nonanoate [French] [ACD/IUPAC Name]
Nonanoic acid, 9-[[(2E)-4-[hexahydro-3,8-dihydroxy-2-(2-hydroxy-1-methylpropyl)-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methyl-1-oxo-2-buten-1-yl]oxy]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 691.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 223.8±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 13.26
ACD/KOC (pH 5.5): 131.23
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 146 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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