ChemSpider 2D Image | 1-[3,5-Bis(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-propanone | C36H44O12

1-[3,5-Bis(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-propanone

  • Molecular FormulaC36H44O12
  • Average mass668.727 Da
  • Monoisotopic mass668.283264 Da
  • ChemSpider ID4475810

More details:

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

1-[3,5-Bis(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-[3,5-Bis(2,6-dihydroxy-3-isobutyryl-4-methoxy-5-methylbenzyl)-2,4,6-trihydroxyphenyl]-2-methyl-1-propanone [ACD/IUPAC Name]
1-[3,5-Bis(2,6-dihydroxy-3-isobutyryl-4-méthoxy-5-méthylbenzyl)-2,4,6-trihydroxyphényl]-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3,5-bis[[2,6-dihydroxy-4-methoxy-3-methyl-5-(2-methyl-1-oxopropyl)phenyl]methyl]-2,4,6-trihydroxyphenyl]-2-methyl- [ACD/Index Name]
Agrimol G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 909.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 282.2±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 9.55
ACD/LogD (pH 5.5): 8.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 960883.63
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 498129.09
ACD/KOC (pH 7.4): 296676.31
Polar Surface Area: 211 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 512.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement