ChemSpider 2D Image | (5Z)-7-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid (non-preferred name) | C22H38O5

(5Z)-7-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid (non-preferred name)

  • Molecular FormulaC22H38O5
  • Average mass382.534 Da
  • Monoisotopic mass382.271912 Da
  • ChemSpider ID95602068
  • 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

(5Z)-7-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid (non-preferred name) [ACD/IUPAC Name]
(5Z)-7-[(1S,2S,3S,5R)-3,5-Dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptensäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (5Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-(3-oxodécyl)cyclopentyl]-5-hepténoïque (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 562.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 308.3±23.8 °C
Index of Refraction: 1.509
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 51.87
ACD/KOC (pH 5.5): 345.29
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.52
Polar Surface Area: 95 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 357.8±3.0 cm3

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