ChemSpider 2D Image | 4-Chloro-5,10,12,13,15,16-hexahydroxy-8-methoxy-2-methyl-3-propyl-6,7,10,11,12,13-hexahydro-2H-chromeno[2',3':6,7]naphtho[2,1-g]isoquinoline-1,14-dione | C29H28ClNO10

4-Chloro-5,10,12,13,15,16-hexahydroxy-8-methoxy-2-methyl-3-propyl-6,7,10,11,12,13-hexahydro-2H-chromeno[2',3':6,7]naphtho[2,1-g]isoquinoline-1,14-dione

  • Molecular FormulaC29H28ClNO10
  • Average mass585.986 Da
  • Monoisotopic mass585.140198 Da
  • ChemSpider ID26232103

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2H-[1]Benzopyrano[2',3':6,7]naphth[2,1-g]isoquinoline-1,14-dione, 4-chloro-6,7,10,11,12,13-hexahydro-5,10,12,13,15,16-hexahydroxy-8-methoxy-2-methyl-3-propyl- [ACD/Index Name]
4-Chlor-5,10,12,13,15,16-hexahydroxy-8-methoxy-2-methyl-3-propyl-6,7,10,11,12,13-hexahydro-2H-chromeno[2',3':6,7]naphtho[2,1-g]isochinolin-1,14-dion [German] [ACD/IUPAC Name]
4-Chloro-5,10,12,13,15,16-hexahydroxy-8-methoxy-2-methyl-3-propyl-6,7,10,11,12,13-hexahydro-2H-chromeno[2',3':6,7]naphtho[2,1-g]isoquinoline-1,14-dione [ACD/IUPAC Name]
4-Chloro-5,10,12,13,15,16-hexahydroxy-8-méthoxy-2-méthyl-3-propyl-6,7,10,11,12,13-hexahydro-2H-chroméno[2',3':6,7]naphto[2,1-g]isoquinoléine-1,14-dione [French] [ACD/IUPAC Name]
(-)-kibdelone C
(−)-Kibdelone C
kibdelone C

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

Density: 1.7±0.1 g/cm3
Boiling Point: 968.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.8±3.0 kJ/mol
Flash Point: 539.7±34.3 °C
Index of Refraction: 1.774
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 230.04
ACD/KOC (pH 5.5): 1605.23
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 4.75
ACD/KOC (pH 7.4): 33.16
Polar Surface Area: 177 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 105.8±5.0 dyne/cm
Molar Volume: 341.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement