ChemSpider 2D Image | Hyalodendrin | C14H16N2O3S2

Hyalodendrin

  • Molecular FormulaC14H16N2O3S2
  • Average mass324.418 Da
  • Monoisotopic mass324.060242 Da
  • ChemSpider ID32821263

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-6,8-dion [German] [ACD/IUPAC Name]
1-Benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione [ACD/IUPAC Name]
1-Benzyl-4-(hydroxyméthyl)-5,7-diméthyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione [French] [ACD/IUPAC Name]
2,3-Dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione, 1-(hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)- [ACD/Index Name]
51920-94-6 [RN]
Hyalodendrin
(+)-Hyalodendrin
(1S,4S)-1-benzyl-4-(hydroxymethyl)-6,8-dimethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione
CID 57350435

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.684
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.44
ACD/KOC (pH 5.5): 269.36
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.44
ACD/KOC (pH 7.4): 269.36
Polar Surface Area: 111 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

Click to predict properties on the Chemicalize site


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