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Search term: 62277935 (Found by CSID)
ChemSpider 2D Image | eutypellazine J | C20H22N2O3S2

eutypellazine J

  • Molecular FormulaC20H22N2O3S2
  • Average mass402.530 Da
  • Monoisotopic mass402.107178 Da
  • ChemSpider ID62277935

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6R)-3-Benzyl-6-(2-hydroxybenzyl)-3,6-bis(methylsulfanyl)-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6R)-3-Benzyl-6-(2-hydroxybenzyl)-3,6-bis(methylsulfanyl)-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6R)-3-Benzyl-6-(2-hydroxybenzyl)-3,6-bis(méthylsulfanyl)-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[(2-hydroxyphenyl)methyl]-3,6-bis(methylthio)-6-(phenylmethyl)-, (3R,6R)- [ACD/Index Name]
eutypellazine J

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 387.4±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.86
ACD/KOC (pH 5.5): 704.78
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.42
ACD/KOC (pH 7.4): 700.11
Polar Surface Area: 129 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 296.7±5.0 cm3

Click to predict properties on the Chemicalize site


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