Found 1 result

Search term: 62429277 (Found by CSID)
ChemSpider 2D Image | eutypellazine O | C19H20N2O4S2

eutypellazine O

  • Molecular FormulaC19H20N2O4S2
  • Average mass404.503 Da
  • Monoisotopic mass404.086456 Da
  • ChemSpider ID62429277

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,5'R,7S,7aS)-7-Hydroxy-5'-(2-hydroxybenzyl)-5'-(methylsulfanyl)-7,7a-dihydro-3H,3'H,6'H-spiro[1-benzothiophene-2,2'-piperazine]-3',6'-dion [German] [ACD/IUPAC Name]
(2R,5'R,7S,7aS)-7-Hydroxy-5'-(2-hydroxybenzyl)-5'-(methylsulfanyl)-7,7a-dihydro-3H,3'H,6'H-spiro[1-benzothiophene-2,2'-piperazine]-3',6'-dione [ACD/IUPAC Name]
(2R,5'R,7S,7aS)-7-Hydroxy-5'-(2-hydroxybenzyl)-5'-(méthylsulfanyl)-7,7a-dihydro-3H,3'H,6'H-spiro[1-benzothiophene-2,2'-piperazine]-3',6'-dione [French] [ACD/IUPAC Name]
eutypellazine O
Spiro[benzo[b]thiophene-2(3H),2'-piperazine]-3',6'-dione, 7,7a-dihydro-7-hydroxy-5'-[(2-hydroxyphenyl)methyl]-5'-(methylthio)-, (2R,5'R,7S,7aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 827.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 454.0±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 149 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 81.5±5.0 dyne/cm
Molar Volume: 266.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement