Found 1 result

Search term: 113369234 (Found by CSID)
ChemSpider 2D Image | 8-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-penten-1-yl]cyclopentyl}octanoic acid | C18H32O5

8-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-penten-1-yl]cyclopentyl}octanoic acid

  • Molecular FormulaC18H32O5
  • Average mass328.444 Da
  • Monoisotopic mass328.224976 Da
  • ChemSpider ID113369234

  • 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

8-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-penten-1-yl]cyclopentyl}octanoic acid [ACD/IUPAC Name]
8-{(1S,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-1-penten-1-yl]cyclopentyl}octansäure [German] [ACD/IUPAC Name]
Acide 8-{(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-1-pentén-1-yl]cyclopentyl}octanoïque [French] [ACD/IUPAC Name]
Cyclopentaneoctanoic acid, 3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-1-penten-1-yl]-, (1S,2R,3R,5S)- [ACD/Index Name]
(10S,12R,16S)-16-F1-PhytoP[9S,13R]
16-F1t-PhytoP
8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 273.5±26.6 °C
Index of Refraction: 1.565
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 32.15
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 280.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement