ChemSpider 2D Image | (3S,6S)-3-({5-[(2S)-2-Hydroxy-3-methoxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methyl)-6-methyl-2,5-piperazinedione | C25H35N3O4

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

  • Molecular FormulaC25H35N3O4
  • Average mass441.563 Da
  • Monoisotopic mass441.262756 Da
  • ChemSpider ID40256785

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,6S)-3-({5-[(2S)-2-Hydroxy-3-methoxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methyl)-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-({5-[(2S)-2-Hydroxy-3-methoxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methyl)-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-({5-[(2S)-2-Hydroxy-3-méthoxy-3-méthylbutyl]-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)-5-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-1H-indol-3-yl]methyl]-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: 720.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.6±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.88
ACD/KOC (pH 5.5): 512.81
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.88
ACD/KOC (pH 7.4): 512.81
Polar Surface Area: 103 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

Click to predict properties on the Chemicalize site


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