ChemSpider 2D Image | (7Z)-9-{(1R,2S,3S,5R)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]cyclopentyl}-7-nonenoic acid (non-preferred name) | C22H38O5

(7Z)-9-{(1R,2S,3S,5R)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]cyclopentyl}-7-nonenoic acid (non-preferred name)

  • Molecular FormulaC22H38O5
  • Average mass382.534 Da
  • Monoisotopic mass382.271912 Da
  • ChemSpider ID113369758

  • 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

(7Z)-9-{(1R,2S,3S,5R)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]cyclopentyl}-7-nonenoic acid (non-preferred name) [ACD/IUPAC Name]
(7Z)-9-{(1R,2S,3S,5R)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]cyclopentyl}-7-nonensäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (7Z)-9-{(1R,2S,3S,5R)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-1-octén-1-yl]cyclopentyl}-7-nonénoïque (non-preferred name) [French] [ACD/IUPAC Name]
(11R,13S,17S)-17-F2-dihomo-IsoP[10R,14S]
1a,1b-dihomo-11R,13S,17S-trihydroxy-7Z,15E-prostadienoic acid-cyclo[10R,14S]
ent-15-epi-17-F2t-dihomo-IsoP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 302.8±26.6 °C
Index of Refraction: 1.560
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 23.65
ACD/KOC (pH 5.5): 197.49
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.16
Polar Surface Area: 98 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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