Found 1 result

Search term: 24822066 (Found by CSID)
ChemSpider 2D Image | (7Z)-7-{(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-ylidene}heptanoic acid | C22H36O5

(7Z)-7-{(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-ylidene}heptanoic acid

  • Molecular FormulaC22H36O5
  • Average mass380.518 Da
  • Monoisotopic mass380.256287 Da
  • ChemSpider ID24822066

  • 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)-7-{(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-yliden}heptansäure [German] [ACD/IUPAC Name]
(7Z)-7-{(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-ylidene}heptanoic acid [ACD/IUPAC Name]
Acide (7Z)-7-{(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octén-1-yl]hexahydro-2H-cyclopenta[b]furan-2-ylidène}heptanoïque [French] [ACD/IUPAC Name]
6,9S-epoxy-11R,15S-dihydoxy-5Z,13E-1a,1b-dihomo-prostadienoic acid
Dihomo-PGI2
Dihomo-Prostaglandin I2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 185.3±23.6 °C
Index of Refraction: 1.597
Molar Refractivity: 109.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 43.68
ACD/KOC (pH 5.5): 304.68
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.87
Polar Surface Area: 87 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

Click to predict properties on the Chemicalize site


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