ChemSpider 2D Image | (2S)-6-Chloro-5-hydroxy-2-(hydroxymethyl)-4-(3-hydroxy-1-propen-2-yl)-2,7-dimethyl-1-indanone | C15H17ClO4

(2S)-6-Chloro-5-hydroxy-2-(hydroxymethyl)-4-(3-hydroxy-1-propen-2-yl)-2,7-dimethyl-1-indanone

  • Molecular FormulaC15H17ClO4
  • Average mass296.746 Da
  • Monoisotopic mass296.081543 Da
  • ChemSpider ID78443490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-6-Chlor-5-hydroxy-2-(hydroxymethyl)-4-(3-hydroxy-1-propen-2-yl)-2,7-dimethyl-1-indanon [German] [ACD/IUPAC Name]
(2S)-6-Chloro-5-hydroxy-2-(hydroxymethyl)-4-(3-hydroxy-1-propen-2-yl)-2,7-dimethyl-1-indanone [ACD/IUPAC Name]
(2S)-6-Chloro-5-hydroxy-2-(hydroxyméthyl)-4-(3-hydroxy-1-propén-2-yl)-2,7-diméthyl-1-indanone [French] [ACD/IUPAC Name]
1H-Inden-1-one, 6-chloro-2,3-dihydro-5-hydroxy-2-(hydroxymethyl)-4-[1-(hydroxymethyl)ethenyl]-2,7-dimethyl-, (2S)- [ACD/Index Name]
Lepistatin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 281.8±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 106.42
ACD/KOC (pH 5.5): 962.98
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 16.49
ACD/KOC (pH 7.4): 149.21
Polar Surface Area: 78 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


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