ChemSpider 2D Image | (3S,6S)-3-{Hydroxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazinedione | C19H23N3O3

(3S,6S)-3-{Hydroxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazinedione

  • Molecular FormulaC19H23N3O3
  • Average mass341.404 Da
  • Monoisotopic mass341.173950 Da
  • ChemSpider ID40256790

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,6S)-3-{Hydroxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-{Hydroxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-{Hydroxy[2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthyl}-6-méthyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]hydroxymethyl]-6-methyl-, (3S,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.3±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.78
ACD/KOC (pH 5.5): 106.58
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 106.58
Polar Surface Area: 94 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 278.8±3.0 cm3

Click to predict properties on the Chemicalize site


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