ChemSpider 2D Image | (2S)-2-[(2R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxyheptyl]-2-hydroxysuccinic acid | C24H27ClO6

(2S)-2-[(2R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxyheptyl]-2-hydroxysuccinic acid

  • Molecular FormulaC24H27ClO6
  • Average mass446.921 Da
  • Monoisotopic mass446.149628 Da
  • ChemSpider ID23202329

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S)-2-[(2R)-7-(3-Chlor-9H-fluoren-9-yl)-2-hydroxyheptyl]-2-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-[(2R)-7-(3-chloro-9H-fluoren-9-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid
(2S)-2-[(2R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxyheptyl]-2-hydroxysuccinic acid [ACD/IUPAC Name]
Acide (2S)-2-[(2R)-7-(3-chloro-9H-fluorén-9-yl)-2-hydroxyheptyl]-2-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(2R)-7-(3-chloro-9H-fluoren-9-yl)-2-hydroxyheptyl]-2-hydroxy-, (2S)- [ACD/Index Name]
(S)-2-[(R)-7-(3-Chloro-9H-fluoren-9-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid
CHEMBL120302

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 115.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 331.1±3.0 cm3

Click to predict properties on the Chemicalize site


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