ChemSpider 2D Image | 3,5-Dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)phenyl beta-D-mannopyranoside | C19H28O9

3,5-Dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)phenyl β-D-mannopyranoside

  • Molecular FormulaC19H28O9
  • Average mass400.420 Da
  • Monoisotopic mass400.173340 Da
  • ChemSpider ID127384032

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Butanone, 1-[2,4-dihydroxy-6-(β-D-mannopyranosyloxy)-3,5-dimethylphenyl]-3-methyl- [ACD/Index Name]
3,5-Dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)phenyl β-D-mannopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2,4-dimethyl-6-(3-methylbutanoyl)phenyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
β-D-Mannopyranoside de 3,5-dihydroxy-2,4-diméthyl-6-(3-méthylbutanoyl)phényle [French] [ACD/IUPAC Name]
1-[2,4-dihydroxy-3,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methylbutan-1-one
Compound NP-024319

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 224.1±25.0 °C
Index of Refraction: 1.607
Molar Refractivity: 99.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 86.58
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 47.81
Polar Surface Area: 157 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 287.4±3.0 cm3

Click to predict properties on the Chemicalize site


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