Found 1 result

Search term: 114779804 (Found by CSID)
ChemSpider 2D Image | chrysosporazine Q | C22H28N2O4

chrysosporazine Q

  • Molecular FormulaC22H28N2O4
  • Average mass384.469 Da
  • Monoisotopic mass384.204895 Da
  • ChemSpider ID114779804

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2S,5S)-2-Benzyl-5-(4-hydroxy-3,5-dimethoxybenzyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-[(2S,5S)-2-Benzyl-5-(4-hydroxy-3,5-dimethoxybenzyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[(2S,5S)-2-Benzyl-5-(4-hydroxy-3,5-diméthoxybenzyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
chrysosporazine Q
Ethanone, 1-[(2S,5S)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-2-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.97
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.24
ACD/KOC (pH 7.4): 175.23
Polar Surface Area: 71 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 327.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement