ChemSpider 2D Image | 11a-Methyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydro-3bH-[1]benzofuro[5,4-f]isochromen-3-yl hexopyranosiduronic acid | C22H32O9

11a-Methyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydro-3bH-[1]benzofuro[5,4-f]isochromen-3-yl hexopyranosiduronic acid

  • Molecular FormulaC22H32O9
  • Average mass440.484 Da
  • Monoisotopic mass440.204620 Da
  • ChemSpider ID95641492

More details:

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

11a-Methyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydro-3bH-[1]benzofuro[5,4-f]isochromen-3-yl hexopyranosiduronic acid [ACD/IUPAC Name]
11a-Methyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodecahydro-3bH-[1]benzofuro[5,4-f]isochromen-3-ylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 11a-méthyl-2,3,3a,4,5,8,9,9a,9b,10,11,11a-dodécahydro-3bH-[1]benzofuro[5,4-f]isochromén-3-yle [French] [ACD/IUPAC Name]
Hexopyranosiduronic acid, 2,3,3a,3b,4,8,9,9a,9b,10,11,11a-dodecahydro-11a-methyl-5H-furo[3',2':5,6]naphtho[2,1-c]pyran-3-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 671.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±6.0 kJ/mol
Flash Point: 232.8±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 306.1±5.0 cm3

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