ChemSpider 2D Image | (1S,3R,5R,7R,12R)-1',4,4,12,14-Pentamethyl-2'H,5'H,13H-spiro[9,14-diazatetracyclo[5.5.2.0~1,9~.0~3,7~]tetradecane-5,3'-pyrrolidine]-2',5',13-trione | C20H29N3O3

(1S,3R,5R,7R,12R)-1',4,4,12,14-Pentamethyl-2'H,5'H,13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,3'-pyrrolidine]-2',5',13-trione

  • Molecular FormulaC20H29N3O3
  • Average mass359.463 Da
  • Monoisotopic mass359.220886 Da
  • ChemSpider ID30785566

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3R,5R,7R,12R)-1',4,4,12,14-Pentamethyl-2'H,5'H,13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,3'-pyrrolidine]-2',5',13-trione [ACD/IUPAC Name]
(1R,5aR,7R,8aR,9aS)-1,1',8,8,11-pentamethyltetrahydro-1H,2'H,5'H,8H,10H-spiro[5a,9a-(epiminomethano)cyclopenta[f]indolizine-7,3'-pyrrolidine]-2',5',10-trione
195966-93-9 [RN]
aspergillimide
asperparaline A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 244.6±22.5 °C
Index of Refraction: 1.615
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 2.47
ACD/KOC (pH 7.4): 45.60
Polar Surface Area: 61 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 276.3±5.0 cm3

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