ChemSpider 2D Image | Limaprost-d3 | C22H33D3O5

Limaprost-d3

  • Molecular FormulaC22H33D3O5
  • Average mass383.537 Da
  • Monoisotopic mass383.275116 Da
  • ChemSpider ID58782977

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-(2H3)methyl-1-nonen-1-yl]-5-oxocyclopentyl}-2-heptenoic acid (non-preferred name) [ACD/IUPAC Name]
(2E)-7-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-(2H3)methyl-1-nonen-1-yl]-5-oxocyclopentyl}-2-heptensäure (non-preferred name) [German] [ACD/IUPAC Name]
1263190-37-9 [RN]
Acide (2E)-7-{(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5S)-3-hydroxy-5-(2H3)méthyl-1-nonén-1-yl]-5-oxocyclopentyl}-2-hepténoïque (non-preferred name) [French] [ACD/IUPAC Name]
Limaprost-d3
(E)-7-((1R,2R,3R)-3-hydroxy-2-((3S,5S,E)-3-hydroxy-5-(methyl-d3)non-1-en-1-yl)-5-oxocyclopentyl)hept-2-enoic 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: 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


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