ChemSpider 2D Image | {(1R,8R,10S)-7-Hydroxy-1-[(1R)-1-hydroxyethyl]-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl}acetic acid | C22H23NO6

{(1R,8R,10S)-7-Hydroxy-1-[(1R)-1-hydroxyethyl]-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl}acetic acid

  • Molecular FormulaC22H23NO6
  • Average mass397.421 Da
  • Monoisotopic mass397.152527 Da
  • ChemSpider ID129302587

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1R,8R,10S)-7-Hydroxy-1-[(1R)-1-hydroxyethyl]-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl}acetic acid [ACD/IUPAC Name]
{(1R,8R,10S)-7-Hydroxy-1-[(1R)-1-hydroxyethyl]-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl}essigsäure [German] [ACD/IUPAC Name]
6H-Benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indole-10-acetic acid, 1,2,3,8,10,11-hexahydro-7-hydroxy-1-[(1R)-1-hydroxyethyl]-8-methyl-6-oxo-, (1R,8R,10S)- [ACD/Index Name]
Acide {(1R,8R,10S)-7-hydroxy-1-[(1R)-1-hydroxyéthyl]-8-méthyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.752
Molar Refractivity: 100.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 29.03
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 245.9±7.0 cm3

Click to predict properties on the Chemicalize site


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