ChemSpider 2D Image | Methyl 3-hydroxy-6-{3-hydroxy-2-[(3-methoxy-2-methyl-3-oxopropoxy)carbonyl]-5-methylphenoxy}-5-methoxy-2-nitrobenzoate | C22H23NO12

Methyl 3-hydroxy-6-{3-hydroxy-2-[(3-methoxy-2-methyl-3-oxopropoxy)carbonyl]-5-methylphenoxy}-5-methoxy-2-nitrobenzoate

  • Molecular FormulaC22H23NO12
  • Average mass493.418 Da
  • Monoisotopic mass493.122040 Da
  • ChemSpider ID35516926

More details:

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

3-Hydroxy-6-{3-hydroxy-2-[(3-méthoxy-2-méthyl-3-oxopropoxy)carbonyl]-5-méthylphénoxy}-5-méthoxy-2-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-6-[3-hydroxy-2-[(3-methoxy-2-methyl-3-oxopropoxy)carbonyl]-5-methylphenoxy]-5-methoxy-2-nitro-, methyl ester [ACD/Index Name]
Methyl 3-hydroxy-6-{3-hydroxy-2-[(3-methoxy-2-methyl-3-oxopropoxy)carbonyl]-5-methylphenoxy}-5-methoxy-2-nitrobenzoate [ACD/IUPAC Name]
Methyl-3-hydroxy-6-{3-hydroxy-2-[(3-methoxy-2-methyl-3-oxopropoxy)carbonyl]-5-methylphenoxy}-5-methoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
Pseudogymnoascin A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 330.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 476.00
ACD/KOC (pH 5.5): 2594.67
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 42.02
Polar Surface Area: 184 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 354.7±3.0 cm3

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