ChemSpider 2D Image | (3R,6Z)-3-(Hydroxymethyl)-3-methoxy-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione | C20H23N3O4

(3R,6Z)-3-(Hydroxymethyl)-3-methoxy-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione

  • Molecular FormulaC20H23N3O4
  • Average mass369.414 Da
  • Monoisotopic mass369.168854 Da
  • ChemSpider ID40256788

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,6Z)-3-(Hydroxymethyl)-3-methoxy-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylen}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6Z)-3-(Hydroxymethyl)-3-methoxy-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6Z)-3-(Hydroxyméthyl)-3-méthoxy-6-{[2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthylène}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 6-[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-3-(hydroxymethyl)-3-methoxy-, (3R,6Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.91
ACD/KOC (pH 5.5): 192.52
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.89
ACD/KOC (pH 7.4): 192.23
Polar Surface Area: 103 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 282.3±5.0 cm3

Click to predict properties on the Chemicalize site


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