ChemSpider 2D Image | (5Z,8S,9R,10E,12R)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoic acid | C20H32O5

(5Z,8S,9R,10E,12R)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoic acid

  • Molecular FormulaC20H32O5
  • Average mass352.465 Da
  • Monoisotopic mass352.224976 Da
  • ChemSpider ID113369451

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5Z,8S,9R,10E,12R)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadienoic acid [ACD/IUPAC Name]
(5Z,8S,9R,10E,12R)-8-Acetyl-9-formyl-12-hydroxy-5,10-heptadecadiensäure [German] [ACD/IUPAC Name]
5,10-Heptadecadienoic acid, 8-acetyl-9-formyl-12-hydroxy-, (5Z,8S,9R,10E,12R)- [ACD/Index Name]
Acide (5Z,8S,9R,10E,12R)-8-acétyl-9-formyl-12-hydroxy-5,10-heptadécadiénoïque [French] [ACD/IUPAC Name]
(5Z,8S,9R,10E,12R)-8-acetyl-9-formyl-12-hydroxyheptadeca-5,10-dienoic acid
(8S,12R)-10,11-seco-9,11-dioxo-15R-hydroxy-5Z,13E-prostadienoic acid
15-epi-15-iso-LGE2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 295.6±26.6 °C
Index of Refraction: 1.499
Molar Refractivity: 98.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 11.99
ACD/KOC (pH 5.5): 120.35
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 92 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 333.6±3.0 cm3

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