ChemSpider 2D Image | isohalitulin | C35H40N4O4

isohalitulin

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID24684223

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

5,5'-(1-{3-[(3S)-3-Methyl-1-azecanyl]propyl}-1H-pyrrol-3,4-diyl)di(6,7-chinolindiol) [German] [ACD/IUPAC Name]
5,5'-(1-{3-[(3S)-3-Méthyl-1-azécanyl]propyl}-1H-pyrrole-3,4-diyl)di(6,7-quinoléinediol) [French] [ACD/IUPAC Name]
5,5'-(1-{3-[(3S)-3-Methyl-1-azecanyl]propyl}-1H-pyrrole-3,4-diyl)di(6,7-quinolinediol) [ACD/IUPAC Name]
6,7-Quinolinediol, 5,5'-[1-[3-[(3S)-octahydro-3-methyl-1(2H)-azecinyl]propyl]-1H-pyrrole-3,4-diyl]bis- [ACD/Index Name]
isohalitulin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 753.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 409.6±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 10.68
ACD/KOC (pH 5.5): 20.47
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 200.86
ACD/KOC (pH 7.4): 385.10
Polar Surface Area: 115 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 443.1±7.0 cm3

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