ChemSpider 2D Image | (3S,8aS)-3-{[(3S)-7,7-Dimethyl-3-(2-methyl-3-buten-2-yl)-2-oxo-1,2,3,7-tetrahydropyrano[2,3-g]indol-3-yl]methyl}-8a-methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C27H33N3O5

(3S,8aS)-3-{[(3S)-7,7-Dimethyl-3-(2-methyl-3-buten-2-yl)-2-oxo-1,2,3,7-tetrahydropyrano[2,3-g]indol-3-yl]methyl}-8a-methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC27H33N3O5
  • Average mass479.568 Da
  • Monoisotopic mass479.242035 Da
  • ChemSpider ID29419661

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,8aS)-3-{[(3S)-7,7-Dimethyl-3-(2-methyl-3-buten-2-yl)-2-oxo-1,2,3,7-tetrahydropyrano[2,3-g]indol-3-yl]methyl}-8a-methoxyhexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3S,8aS)-3-{[(3S)-7,7-Dimethyl-3-(2-methyl-3-buten-2-yl)-2-oxo-1,2,3,7-tetrahydropyrano[2,3-g]indol-3-yl]methyl}-8a-methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3S,8aS)-3-{[(3S)-7,7-Diméthyl-3-(2-méthyl-3-butén-2-yl)-2-oxo-1,2,3,7-tétrahydropyrano[2,3-g]indol-3-yl]méthyl}-8a-méthoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-[[(3S)-3-(1,1-dimethyl-2-propen-1-yl)-1,2,3,7-tetrahydro-7,7-dimethyl-2-oxopyrano[2,3-g]indol-3-yl]methyl]hexahydro-8a-methoxy-, (3S,8aS)- [ACD/Index Name]
17-epi-notoamide Q

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.01
ACD/KOC (pH 5.5): 513.91
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.00
ACD/KOC (pH 7.4): 513.90
Polar Surface Area: 97 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 370.8±5.0 cm3

Click to predict properties on the Chemicalize site


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