ChemSpider 2D Image | pseuboydone D | C22H24N2O5S2

pseuboydone D

  • Molecular FormulaC22H24N2O5S2
  • Average mass460.566 Da
  • Monoisotopic mass460.112671 Da
  • ChemSpider ID35516719

  • 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)-11-Hydroxy-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-yl acetate [ACD/IUPAC Name]
(4S,4aS,6aR,11S,11aS,13aR)-11-Hydroxy-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-yl-acetat [German] [ACD/IUPAC Name]
6H,13H-Pyrazino[1,2-a:4,5-a']diindole-6,13-dione, 4-(acetyloxy)-4,4a,6a,7,11,11a,13a,14-octahydro-11-hydroxy-6a,13a-bis(methylthio)-, (4S,4aS,6aR,11S,11aS,13aR)- [ACD/Index Name]
Acétate de (4S,4aS,6aR,11S,11aS,13aR)-11-hydroxy-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]indol-4-yle [French] [ACD/IUPAC Name]
pseuboydone D
Cladosporin A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 729.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 394.8±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.07
ACD/KOC (pH 5.5): 253.99
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.07
ACD/KOC (pH 7.4): 253.98
Polar Surface Area: 138 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 306.6±5.0 cm3

Click to predict properties on the Chemicalize site


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