ChemSpider 2D Image | 3-Hydroxy-5-(hydroxymethyl)-4-(methoxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate | C22H26O7

3-Hydroxy-5-(hydroxymethyl)-4-(methoxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate

  • Molecular FormulaC22H26O7
  • Average mass402.438 Da
  • Monoisotopic mass402.167847 Da
  • ChemSpider ID78435353

More details:

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

2,4-Dihydroxy-6-méthylbenzoate de 3-hydroxy-5-(hydroxyméthyl)-4-(méthoxyméthyl)-2-(3-méthyl-2-butén-1-yl)phényle [French] [ACD/IUPAC Name]
3-Hydroxy-5-(hydroxymethyl)-4-(methoxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
3-Hydroxy-5-(hydroxymethyl)-4-(methoxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, 3-hydroxy-5-(hydroxymethyl)-4-(methoxymethyl)-2-(3-methyl-2-buten-1-yl)phenyl ester [ACD/Index Name]
Sterenin H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 221.0±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 384.36
ACD/KOC (pH 5.5): 2454.87
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 178.55
ACD/KOC (pH 7.4): 1140.38
Polar Surface Area: 116 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

Click to predict properties on the Chemicalize site


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