ChemSpider 2D Image | (7R)-5-Chloro-3-[(1E,3Z,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate | C23H28ClNO5

(7R)-5-Chloro-3-[(1E,3Z,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate

  • Molecular FormulaC23H28ClNO5
  • Average mass433.925 Da
  • Monoisotopic mass433.165588 Da
  • ChemSpider ID78442057

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7R)-5-Chlor-3-[(1E,3Z,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isochinolinyl-acetat [German] [ACD/IUPAC Name]
(7R)-5-Chloro-3-[(1E,3Z,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydro-7-isoquinolinyl acetate [ACD/IUPAC Name]
6,8(2H,7H)-Isoquinolinedione, 7-(acetyloxy)-5-chloro-3-[(1E,3Z,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-2-(2-hydroxyethyl)-7-methyl-, (7R)- [ACD/Index Name]
Acétate de (7R)-5-chloro-3-[(1E,3Z,5S)-3,5-diméthyl-1,3-heptadién-1-yl]-2-(2-hydroxyéthyl)-7-méthyl-6,8-dioxo-2,6,7,8-tétrahydro-7-isoquinoléinyle [French] [ACD/IUPAC Name]
peniazaphilone C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 282.5±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.03
ACD/KOC (pH 5.5): 470.59
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.03
ACD/KOC (pH 7.4): 470.59
Polar Surface Area: 84 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 347.2±5.0 cm3

Click to predict properties on the Chemicalize site


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