ChemSpider 2D Image | (2S,3S)-6'-Methoxy-3-(2-methyl-1-propen-1-yl)-5a,6,7,8-tetrahydro-1H,5H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H,10aH)-trione | C22H25N3O4

(2S,3S)-6'-Methoxy-3-(2-methyl-1-propen-1-yl)-5a,6,7,8-tetrahydro-1H,5H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H,10aH)-trione

  • Molecular FormulaC22H25N3O4
  • Average mass395.452 Da
  • Monoisotopic mass395.184509 Da
  • ChemSpider ID74043323

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,3S)-6'-Methoxy-3-(2-methyl-1-propen-1-yl)-5a,6,7,8-tetrahydro-1H,5H-spiro[dipyrrolo[1,2-a:1',2'-d]pyrazine-2,3'-indole]-2',5,10(1'H,10aH)-trione [ACD/IUPAC Name]
Spiro[1H,5H-dipyrrolo[1,2-a:1',2'-d]pyrazine-2(10H),3'-[3H]indole]-2',5,10(1'H,3H)-trione, 1,5a,6,7,8,10a-hexahydro-6'-methoxy-3-(2-methyl-1-propen-1-yl)-, (2S,3S)- [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: 658.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.3±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.91
ACD/KOC (pH 5.5): 285.36
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.91
ACD/KOC (pH 7.4): 285.36
Polar Surface Area: 79 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

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