ChemSpider 2D Image | 3-[2-(Benzyloxy)-3-methoxyphenyl]-5-(3-chloro-4-methylphenyl)-1-(1-hydroxyethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C30H29ClN2O7

3-[2-(Benzyloxy)-3-methoxyphenyl]-5-(3-chloro-4-methylphenyl)-1-(1-hydroxyethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID2979232

More details:

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

3-[2-(Benzyloxy)-3-methoxyphenyl]-5-(3-chlor-4-methylphenyl)-1-(1-hydroxyethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
3-[2-(Benzyloxy)-3-methoxyphenyl]-5-(3-chloro-4-methylphenyl)-1-(1-hydroxyethyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-[2-(benzyloxy)-3-méthoxyphényl]-5-(3-chloro-4-méthylphényl)-1-(1-hydroxyéthyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 5-(3-chloro-4-methylphenyl)octahydro-1-(1-hydroxyethyl)-3-[3-methoxy-2-(phenylmethoxy)phenyl]-4,6-dioxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 816.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.7±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 16.58
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 8.99
Polar Surface Area: 125 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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