ChemSpider 2D Image | 2-({2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoyl}oxy)propanoic acid | C20H19NO12

2-({2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoyl}oxy)propanoic acid

  • Molecular FormulaC20H19NO12
  • Average mass465.364 Da
  • Monoisotopic mass465.090729 Da
  • ChemSpider ID35516928

More details:

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

2-({2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoyl}oxy)propanoic acid [ACD/IUPAC Name]
2-({2-Hydroxy-6-[4-hydroxy-6-methoxy-2-(methoxycarbonyl)-3-nitrophenoxy]-4-methylbenzoyl}oxy)propansäure [German] [ACD/IUPAC Name]
Acide 2-({2-hydroxy-6-[4-hydroxy-6-méthoxy-2-(méthoxycarbonyl)-3-nitrophénoxy]-4-méthylbenzoyl}oxy)propanoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[(1-carboxyethoxy)carbonyl]-3-hydroxy-5-methylphenoxy]-5-hydroxy-3-methoxy-6-nitro-, 1-methyl ester [ACD/Index Name]
Pseudogymnoascin C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 312.8±3.0 cm3

Click to predict properties on the Chemicalize site


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