ChemSpider 2D Image | (2E)-7-{(1S,2S,3S)-3-Hydroxy-2-[(1E,3R,5R)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-2-heptenoic acid (non-preferred name) | C22H36O5

(2E)-7-{(1S,2S,3S)-3-Hydroxy-2-[(1E,3R,5R)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-2-heptenoic acid (non-preferred name)

  • Molecular FormulaC22H36O5
  • Average mass380.518 Da
  • Monoisotopic mass380.256287 Da
  • ChemSpider ID78430107

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-7-{(1S,2S,3S)-3-Hydroxy-2-[(1E,3R,5R)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-2-heptenoic acid (non-preferred name) [ACD/IUPAC Name]
(2E)-7-{(1S,2S,3S)-3-Hydroxy-2-[(1E,3R,5R)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-2-heptensäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2E)-7-{(1S,2S,3S)-3-hydroxy-2-[(1E,3R,5R)-3-hydroxy-5-méthyl-1-nonén-1-yl]-5-oxocyclopentyl}-2-hepténoïque (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 550.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.5±6.0 kJ/mol
Flash Point: 300.9±26.6 °C
Index of Refraction: 1.551
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 23.34
ACD/KOC (pH 5.5): 196.56
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.15
Polar Surface Area: 95 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement