ChemSpider 2D Image | aqabamycin D | C16H9N3O8

aqabamycin D

  • Molecular FormulaC16H9N3O8
  • Average mass371.258 Da
  • Monoisotopic mass371.038971 Da
  • ChemSpider ID27024979

More details:

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

1H-Pyrrole-2,5-dione, 3,4-bis(4-hydroxy-3-nitrophenyl)- [ACD/Index Name]
3,4-Bis(4-hydroxy-3-nitrophenyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3,4-Bis(4-hydroxy-3-nitrophenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3,4-Bis(4-hydroxy-3-nitrophényl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
aqabamycin D
1253641-96-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 610.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 322.8±31.5 °C
Index of Refraction: 1.743
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 43.22
ACD/KOC (pH 5.5): 478.22
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.99
Polar Surface Area: 178 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 93.5±3.0 dyne/cm
Molar Volume: 215.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement