ChemSpider 2D Image | 3-(2-Hydroxy-3-methoxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid | C30H27N3O6

3-(2-Hydroxy-3-methoxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID3220303

More details:

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

3-(2-Hydroxy-3-methoxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
3-(2-Hydroxy-3-methoxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(2-hydroxy-3-méthoxyphényl)-1-(1H-indol-3-ylméthyl)-5-(3-méthylphényl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-3-(2-hydroxy-3-methoxyphenyl)-1-(1H-indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxo- [ACD/Index Name]
3-(2-hydroxy-3-methoxyphenyl)-1-(indol-3-ylmethyl)-5-(3-methylphenyl)-4,6-dioxo-1,2,3,5,3a,6a-hexahydro-2,5-diazapentalenecarboxylic acid

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

A2847/0120135 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 809.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.2±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 132 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 371.5±3.0 cm3

Click to predict properties on the Chemicalize site


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