ChemSpider 2D Image | Spiroindimicin B | C23H17Cl2N3O2

Spiroindimicin B

  • Molecular FormulaC23H17Cl2N3O2
  • Average mass438.306 Da
  • Monoisotopic mass437.069794 Da
  • ChemSpider ID29214709

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Methyl (3R)-5,8'-dichloro-1-methyl-1,2,2',5'-tetrahydrospiro[indole-3,4'-pyrrolo[3',4':3,4]cyclopenta[1,2-b]indole]-3'-carboxylate [ACD/IUPAC Name]
Spiro[3H-indole-3,4'-[4H]pyrrolo[3',4':3,4]cyclopent[1,2-b]indole]-3'-carboxylic acid, 5,8'-dichloro-1,2,2',5'-tetrahydro-1-methyl-, methyl ester, (3R)- [ACD/Index Name]
Spiroindimicin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.4±32.9 °C
Index of Refraction: 1.781
Molar Refractivity: 116.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4706.12
ACD/KOC (pH 5.5): 14690.40
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4837.87
ACD/KOC (pH 7.4): 15101.64
Polar Surface Area: 61 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 276.4±5.0 cm3

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