ChemSpider 2D Image | 3-methoxy Limaprost | C23H40O6

3-methoxy Limaprost

  • Molecular FormulaC23H40O6
  • Average mass412.560 Da
  • Monoisotopic mass412.282501 Da
  • ChemSpider ID29341816

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1224443-96-2 [RN]
3-methoxy Limaprost
7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-3-methoxyheptanoic acid [ACD/IUPAC Name]
7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-methyl-1-nonen-1-yl]-5-oxocyclopentyl}-3-methoxyheptansäure [German] [ACD/IUPAC Name]
Acide 7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-méthyl-1-nonén-1-yl]-5-oxocyclopentyl}-3-méthoxyheptanoïque [French] [ACD/IUPAC Name]
3-methoxy-11?,15S-dihydroxy-17S,20-dimethyl-9-oxo-prosta-13E-en-1-oic acid
3-methoxy-11α,15S-dihydroxy-17S,20-dimethyl-9-oxo-prosta-13E-en-1-oic acid
3-methoxy-11α,15S-dihydroxy-17S,20-dimethyl-9-oxo-prosta-13E-en-1-oic acid
7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]-3-methoxyheptanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 182.3±23.6 °C
Index of Refraction: 1.533
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 4.65
ACD/KOC (pH 5.5): 46.10
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 369.9±3.0 cm3

Click to predict properties on the Chemicalize site


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