ChemSpider 2D Image | 5-[(2R,3S)-6-Formyl-5,7-dihydroxy-3-isopropyl-8-(3-methylbutanoyl)-3,4-dihydro-2H-chromen-2-yl]-2,4,6-trimethoxyisophthalaldehyde | C29H34O10

5-[(2R,3S)-6-Formyl-5,7-dihydroxy-3-isopropyl-8-(3-methylbutanoyl)-3,4-dihydro-2H-chromen-2-yl]-2,4,6-trimethoxyisophthalaldehyde

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID9664429

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxaldehyde, 5-[(2R,3S)-6-formyl-3,4-dihydro-5,7-dihydroxy-3-(1-methylethyl)-8-(3-methyl-1-oxobutyl)-2H-1-benzopyran-2-yl]-2,4,6-trimethoxy- [ACD/Index Name]
5-[(2R,3S)-6-Formyl-5,7-dihydroxy-3-isopropyl-8-(3-méthylbutanoyl)-3,4-dihydro-2H-chromén-2-yl]-2,4,6-triméthoxyisophtalaldéhyde [French] [ACD/IUPAC Name]
5-[(2R,3S)-6-Formyl-5,7-dihydroxy-3-isopropyl-8-(3-methylbutanoyl)-3,4-dihydro-2H-chromen-2-yl]-2,4,6-trimethoxyisophthalaldehyd [German] [ACD/IUPAC Name]
5-[(2R,3S)-6-Formyl-5,7-dihydroxy-3-isopropyl-8-(3-methylbutanoyl)-3,4-dihydro-2H-chromen-2-yl]-2,4,6-trimethoxyisophthalaldehyde [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 235.3±26.4 °C
Index of Refraction: 1.598
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 17677.03
ACD/KOC (pH 5.5): 31339.83
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 156.59
ACD/KOC (pH 7.4): 277.62
Polar Surface Area: 146 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 428.9±3.0 cm3

Click to predict properties on the Chemicalize site


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