ChemSpider 2D Image | 3-(Dichloromethyl)-5,6,8-trihydroxy-4-[(1-hydroxy-2-iminopropyl)amino]-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one | C14H20Cl2N2O6

3-(Dichloromethyl)-5,6,8-trihydroxy-4-[(1-hydroxy-2-iminopropyl)amino]-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one

  • Molecular FormulaC14H20Cl2N2O6
  • Average mass383.224 Da
  • Monoisotopic mass382.069855 Da
  • ChemSpider ID95638945

More details:

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

1H-2-Benzopyran-1-one, 3-(dichloromethyl)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-4-[(1-hydroxy-2-iminopropyl)amino]-3-methyl- [ACD/Index Name]
3-(Dichlormethyl)-5,6,8-trihydroxy-4-[(1-hydroxy-2-iminopropyl)amino]-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
3-(Dichloromethyl)-5,6,8-trihydroxy-4-[(1-hydroxy-2-iminopropyl)amino]-3-methyl-3,4,4a,5,6,7-hexahydro-1H-isochromen-1-one [ACD/IUPAC Name]
3-(Dichlorométhyl)-5,6,8-trihydroxy-4-[(1-hydroxy-2-iminopropyl)amino]-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: 1.8±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±6.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.04
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 217.6±7.0 cm3

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