ChemSpider 2D Image | (2S)-3-Hydroxy-3-methyl-1-[2-(2-methyl-3-buten-2-yl)-3-{[(2S,5S)-5-methyl-3,6-dioxo-2-piperazinyl]methyl}-1H-indol-5-yl]-2-butanyl acetate | C26H35N3O5

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

  • Molecular FormulaC26H35N3O5
  • Average mass469.573 Da
  • Monoisotopic mass469.257660 Da
  • ChemSpider ID40256786

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-3-Hydroxy-3-methyl-1-[2-(2-methyl-3-buten-2-yl)-3-{[(2S,5S)-5-methyl-3,6-dioxo-2-piperazinyl]methyl}-1H-indol-5-yl]-2-butanyl acetate [ACD/IUPAC Name]
(2S)-3-Hydroxy-3-methyl-1-[2-(2-methyl-3-buten-2-yl)-3-{[(2S,5S)-5-methyl-3,6-dioxo-2-piperazinyl]methyl}-1H-indol-5-yl]-2-butanyl-acetat [German] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[5-[(2S)-2-(acetyloxy)-3-hydroxy-3-methylbutyl]-2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methyl]-6-methyl-, (3S,6S)- [ACD/Index Name]
Acétate de (2S)-3-hydroxy-3-méthyl-1-[2-(2-méthyl-3-butén-2-yl)-3-{[(2S,5S)-5-méthyl-3,6-dioxo-2-pipérazinyl]méthyl}-1H-indol-5-yl]-2-butanyle [French] [ACD/IUPAC Name]
Rubrumline G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 410.1±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.13
ACD/KOC (pH 5.5): 557.05
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.13
ACD/KOC (pH 7.4): 557.05
Polar Surface Area: 121 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 397.3±3.0 cm3

Click to predict properties on the Chemicalize site


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