ChemSpider 2D Image | (3Z,6S)-3-({5-[(2S)-2,3-Dihydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylene)-6-methyl-2,5-piperazinedione | C24H31N3O4

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

  • Molecular FormulaC24H31N3O4
  • Average mass425.521 Da
  • Monoisotopic mass425.231445 Da
  • ChemSpider ID40256780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3Z,6S)-3-({5-[(2S)-2,3-Dihydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylen)-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3Z,6S)-3-({5-[(2S)-2,3-Dihydroxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl}methylene)-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3Z,6S)-3-({5-[(2S)-2,3-Dihydroxy-3-méthylbutyl]-2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl}méthylène)-6-méthyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[5-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-6-methyl-, (3Z,6S)- [ACD/Index Name]
dihydroxyisoechinulin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 776.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.3±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 122.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.15
ACD/KOC (pH 5.5): 231.95
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.15
ACD/KOC (pH 7.4): 231.94
Polar Surface Area: 114 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement