ChemSpider 2D Image | (4aS,7aS)-1,4-Bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione | C32H29N3O2

(4aS,7aS)-1,4-Bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione

  • Molecular FormulaC32H29N3O2
  • Average mass487.592 Da
  • Monoisotopic mass487.225983 Da
  • ChemSpider ID35033389

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,7aS)-1,4-Bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazin-2,3-dion [German] [ACD/IUPAC Name]
(4aS,7aS)-1,4-Bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione [ACD/IUPAC Name]
(4aS,7aS)-1,4-Bis(diphénylméthyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-b]pyrazine-2,3-dione, 1,4-bis(diphenylmethyl)hexahydro-, (4aS,7aS)- [ACD/Index Name]
0LQ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.60
ACD/KOC (pH 5.5): 15.64
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 170.63
ACD/KOC (pH 7.4): 740.46
Polar Surface Area: 53 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 396.1±3.0 cm3

Click to predict properties on the Chemicalize site


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