ChemSpider 2D Image | 5-prenyl-dihydrorubrumazine A | C30H43N3O4

5-prenyl-dihydrorubrumazine A

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID62285062

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,6R)-3-({7-[(2S)-2-Hydroxy-3-methoxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl}methyl)-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6R)-3-({7-[(2S)-2-Hydroxy-3-methoxy-3-methylbutyl]-2-(2-methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl}methyl)-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6R)-3-({7-[(2S)-2-Hydroxy-3-méthoxy-3-méthylbutyl]-2-(2-méthyl-3-butén-2-yl)-5-(3-méthyl-2-butén-1-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)-7-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-6-methyl-, (3R,6R)- [ACD/Index Name]
5-prenyl-dihydrorubrumazine A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 753.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.6±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 875.73
ACD/KOC (pH 5.5): 4443.73
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 875.73
ACD/KOC (pH 7.4): 4443.73
Polar Surface Area: 103 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 459.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement