ChemSpider 2D Image | (4S,4aS,6aR,11S,11aS,13aR)-6a,13a-Bis(methylsulfanyl)-6,13-dioxo-4,6a,7,11,11a,13,13a,14-octahydro-4aH,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-4,11-diyl diacetate | C24H26N2O6S2

(4S,4aS,6aR,11S,11aS,13aR)-6a,13a-Bis(methylsulfanyl)-6,13-dioxo-4,6a,7,11,11a,13,13a,14-octahydro-4aH,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-4,11-diyl diacetate

  • Molecular FormulaC24H26N2O6S2
  • Average mass502.603 Da
  • Monoisotopic mass502.123230 Da
  • ChemSpider ID8919379

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4S,4aS,6aR,11S,11aS,13aR)-6a,13a-Bis(methylsulfanyl)-6,13-dioxo-4,6a,7,11,11a,13,13a,14-octahydro-4aH,6H-indolo[1',2':4,5]pyrazino[1,2-a]indol-4,11-diyl-diacetat [German] [ACD/IUPAC Name]
(4S,4aS,6aR,11S,11aS,13aR)-6a,13a-Bis(methylsulfanyl)-6,13-dioxo-4,6a,7,11,11a,13,13a,14-octahydro-4aH,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-4,11-diyl diacetate [ACD/IUPAC Name]
6H,13H-Pyrazino[1,2-a:4,5-a']diindole-6,13-dione, 4,11-bis(acetyloxy)-4,4a,6a,7,11,11a,13a,14-octahydro-6a,13a-bis(methylthio)-, (4S,4aS,6aR,11S,11aS,13aR)- [ACD/Index Name]
Diacétate de (4S,4aS,6aR,11S,11aS,13aR)-6a,13a-bis(méthylsulfanyl)-6,13-dioxo-4,6a,7,11,11a,13,13a,14-octahydro-4aH,6H-indolo[1',2':4,5]pyrazino[1,2-a]indole-4,11-diyle [French] [ACD/IUPAC Name]
Haematocin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 712.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.9±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.05
ACD/KOC (pH 5.5): 743.55
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.05
ACD/KOC (pH 7.4): 743.55
Polar Surface Area: 144 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 344.3±5.0 cm3

Click to predict properties on the Chemicalize site


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