ChemSpider 2D Image | Spiroindimicin A | C24H15Cl2N3O4

Spiroindimicin A

  • Molecular FormulaC24H15Cl2N3O4
  • Average mass480.300 Da
  • Monoisotopic mass479.043976 Da
  • ChemSpider ID29214708

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Dimethyl (3S)-5,5'-dichloro-2',8'-dihydrospiro[indole-3,6'-isoindolo[4,5,6-cd]indole]-7',9'-dicarboxylate [ACD/IUPAC Name]
Spiro[3H-indole-3,6'-[6H]isoindolo[4,5,6-cd]indole]-7',9'-dicarboxylic acid, 5,5'-dichloro-2',8'-dihydro-, dimethyl ester, (3S)- [ACD/Index Name]
Spiroindimicin A
E'AGN-PC-0JG1X8'

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

Density: 1.6±0.1 g/cm3
Boiling Point: 777.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.9±32.9 °C
Index of Refraction: 1.768
Molar Refractivity: 120.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3043.80
ACD/KOC (pH 5.5): 10802.53
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3080.47
ACD/KOC (pH 7.4): 10932.66
Polar Surface Area: 97 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 291.4±7.0 cm3

Click to predict properties on the Chemicalize site


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