ChemSpider 2D Image | 5-O-METHYLSULOCHRIN | C18H18O7

5-O-METHYLSULOCHRIN

  • Molecular FormulaC18H18O7
  • Average mass346.331 Da
  • Monoisotopic mass346.105255 Da
  • ChemSpider ID22369651

More details:

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

2-(2,6-Dihydroxy-4-méthylbenzoyl)-3,5-diméthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
5-O-METHYLSULOCHRIN
77282-69-0 [RN]
Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxy-, methyl ester [ACD/Index Name]
Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoate [ACD/IUPAC Name]
Methyl-2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4529755/

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

42AGT8ZR2P [DBID]
UNII:42AGT8ZR2P [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 191.6±23.6 °C
Index of Refraction: 1.588
Molar Refractivity: 89.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.65
ACD/KOC (pH 5.5): 1903.05
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 68.01
ACD/KOC (pH 7.4): 476.43
Polar Surface Area: 102 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 266.6±3.0 cm3

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