ChemSpider 2D Image | ()-montagnetol | C12H16O7

()-montagnetol

  • Molecular FormulaC12H16O7
  • Average mass272.251 Da
  • Monoisotopic mass272.089600 Da
  • ChemSpider ID30829945
  • defined stereocentres - 2 of 2 defined stereocentres


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()-montagnetol
(2S,3R)-2,3,4-Trihydroxybutyl 2,4-dihydroxy-6-methylbenzoate [ACD/IUPAC Name]
(2S,3R)-2,3,4-Trihydroxybutyl-2,4-dihydroxy-6-methylbenzoat [German] [ACD/IUPAC Name]
2,4-Dihydroxy-6-méthylbenzoate de (2S,3R)-2,3,4-trihydroxybutyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dihydroxy-6-methyl-, (2S,3R)-2,3,4-trihydroxybutyl ester [ACD/Index Name]
Montagnetol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 589.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 228.4±23.6 °C
Index of Refraction: 1.628
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 41.85
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.64
Polar Surface Area: 127 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 183.3±3.0 cm3

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