ChemSpider 2D Image | 4-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]amino}-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one | C14H20Cl2N2O6

4-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]amino}-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one

  • Molecular FormulaC14H20Cl2N2O6
  • Average mass383.224 Da
  • Monoisotopic mass382.069855 Da
  • ChemSpider ID95640646

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-2-Benzopyran-1-one, 4-[[(1E)-2-amino-1-hydroxy-1-propen-1-yl]amino]-3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl- [ACD/Index Name]
4-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]amino}-3-(dichlormethyl)-5,6,8-trihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
4-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]amino}-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one [ACD/IUPAC Name]
4-{[(1E)-2-Amino-1-hydroxy-1-propén-1-yl]amino}-3-(dichlorométhyl)-5,6,8-trihydroxy-3-méthyl-3,4,4a,5,6,7-hexahydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 343.8±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 238.6±5.0 cm3

Click to predict properties on the Chemicalize site


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