ChemSpider 2D Image | 1-O-(2,4-Dimethoxy-6-methylbenzoyl)-L-mannitol | C16H24O9

1-O-(2,4-Dimethoxy-6-methylbenzoyl)-L-mannitol

  • Molecular FormulaC16H24O9
  • Average mass360.356 Da
  • Monoisotopic mass360.142029 Da
  • ChemSpider ID34981921

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-O-(2,4-Dimethoxy-6-methylbenzoyl)-L-mannitol [German] [ACD/IUPAC Name]
1-O-(2,4-Dimethoxy-6-methylbenzoyl)-L-mannitol [ACD/IUPAC Name]
1-O-(2,4-Diméthoxy-6-méthylbenzoyl)-L-mannitol [French] [ACD/IUPAC Name]
L-Mannitol, 1-(2,4-dimethoxy-6-methylbenzoate) [ACD/Index Name]
cristatumside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 231.4±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.62
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.62
Polar Surface Area: 146 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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