Found 1 result

Search term: 113370231 (Found by CSID)
ChemSpider 2D Image | (4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5R)-2-Ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxy-4,7,10,14-pentadecatetraenoic acid | C22H32O5

(4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5R)-2-Ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxy-4,7,10,14-pentadecatetraenoic acid

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID113370231

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5R)-2-Ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxy-4,7,10,14-pentadecatetraenoic acid [ACD/IUPAC Name]
(4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5R)-2-Ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxy-4,7,10,14-pentadecatetraensäure [German] [ACD/IUPAC Name]
4,7,10,14-Pentadecatetraenoic acid, 15-[(1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxy-, (4Z,7Z,10Z,13S,14E)- [ACD/Index Name]
Acide (4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5R)-2-éthyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxy-4,7,10,14-pentadécatétraénoïque [French] [ACD/IUPAC Name]
(S,4Z,7Z,10Z,14E)-15-((1R,2S,5R)-2-ethyl-5-hydroxy-3-oxocyclopentyl)-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
ent-13-epi-13-D4t-NeuroP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 565.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 309.5±26.6 °C
Index of Refraction: 1.579
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 35.78
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

Click to predict properties on the Chemicalize site


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