ChemSpider 2D Image | 1-[3-(2,6-Dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(2-hydroxy-5-isobutyryl-4,6-dimethoxy-3-methylbenzyl)phenyl]-2-methyl-1-propanone | C37H46O12

1-[3-(2,6-Dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(2-hydroxy-5-isobutyryl-4,6-dimethoxy-3-methylbenzyl)phenyl]-2-methyl-1-propanone

  • Molecular FormulaC37H46O12
  • Average mass682.754 Da
  • Monoisotopic mass682.298950 Da
  • ChemSpider ID141371

More details:

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

1-[3-(2,6-Dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(2-hydroxy-5-isobutyryl-4,6-dimethoxy-3-methylbenzyl)phenyl]-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-[3-(2,6-Dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxy-5-(2-hydroxy-5-isobutyryl-4,6-dimethoxy-3-methylbenzyl)phenyl]-2-methyl-1-propanone [ACD/IUPAC Name]
1-[3-(2,6-Dihydroxy-3-isobutyryl-4-méthoxy-5-méthylbenzyl)-2,4,6-trihydroxy-5-(2-hydroxy-5-isobutyryl-4,6-diméthoxy-3-méthylbenzyl)phényl]-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(3-((2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)-2,4,6-trihydroxy-5-((2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)phenyl)-2-methyl
1-Propanone, 1-[3-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxy-5-[[2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]phenyl]-2-methyl - [ACD/Index Name]
10091-70-0 [RN]
1-Propanone, 1-(3-((2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)-2,4,6-trihydroxy-5-((2-hydroxy-4,6-dimethoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl)methyl)phenyl)-2-methyl-
Protokosin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 908.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 279.6±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 183.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 9.33
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 760634.44
ACD/KOC (pH 5.5): 562046.88
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 345518.81
ACD/KOC (pH 7.4): 255310.25
Polar Surface Area: 200 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 538.1±3.0 cm3

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