ChemSpider 2D Image | ghanamycin B | C19H28O9

ghanamycin B

  • Molecular FormulaC19H28O9
  • Average mass400.420 Da
  • Monoisotopic mass400.173340 Da
  • ChemSpider ID61708724

More details:

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

[2-Hydroxy-2-(3-méthoxy-3-oxopropyl)-5-oxodihydro-3(2H)-furanylidène]malonate de dibutyle [French] [ACD/IUPAC Name]
Dibutyl [2-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxodihydro-3(2H)-furanylidene]malonate [ACD/IUPAC Name]
Dibutyl-[2-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxodihydro-3(2H)-furanyliden]malonat [German] [ACD/IUPAC Name]
ghanamycin B
Propanedioic acid, 2-[dihydro-2-hydroxy-2-(3-methoxy-3-oxopropyl)-5-oxo-3(2H)-furanylidene]-, dibutyl ester [ACD/Index 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: 513.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 172.6±23.6 °C
Index of Refraction: 1.500
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.88
ACD/KOC (pH 5.5): 424.06
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.47
ACD/KOC (pH 7.4): 418.70
Polar Surface Area: 125 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 326.6±3.0 cm3

Click to predict properties on the Chemicalize site


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