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Search term: 62277932 (Found by CSID)
ChemSpider 2D Image | eutypellazine G | C19H24N2O6S2

eutypellazine G

  • Molecular FormulaC19H24N2O6S2
  • Average mass440.534 Da
  • Monoisotopic mass440.107574 Da
  • ChemSpider ID62277932

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1R,4S,5S,11R,14S,15R,16R,18S,19R)-5,15,18-Trihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicosan-2,8,12-trion [German] [ACD/IUPAC Name]
(1R,4S,5S,11R,14S,15R,16R,18S,19R)-5,15,18-Trihydroxy-11-(methylsulfanyl)-21-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicosane-2,8,12-trione [ACD/IUPAC Name]
(1R,4S,5S,11R,14S,15R,16R,18S,19R)-5,15,18-Trihydroxy-11-(méthylsulfanyl)-21-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]hénicosane-2,8,12-trione [French] [ACD/IUPAC Name]
13H-3,13a-Epithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-6,8,13(9H)-trione, dodecahydro-1,4,11-trihydroxy-6a-(methylthio)-, (1S,3R,4R,4aS,6aR,11S,11aS,13aR,14aR)- [ACD/Index Name]
eutypellazine G

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

Density: 1.7±0.1 g/cm3
Boiling Point: 776.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 423.5±32.9 °C
Index of Refraction: 1.764
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.84
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.84
Polar Surface Area: 169 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 257.4±5.0 cm3

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