ChemSpider 2D Image | Carbocyclic Thromboxane A2 | C22H36O3

Carbocyclic Thromboxane A2

  • Molecular FormulaC22H36O3
  • Average mass348.519 Da
  • Monoisotopic mass348.266449 Da
  • ChemSpider ID29341982

  • 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

(5Z)-7-{(1R,2S,3R,5R)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{(1R,2S,3R,5R)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl}-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(2S,3R)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl]-, (5Z)- [ACD/Index Name]
74034-56-3 [RN]
Acide (5Z)-7-{(1R,2S,3R,5R)-3-[(1E,3S)-3-hydroxy-1-octén-1-yl]bicyclo[3.1.1]hept-2-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
Carbocyclic Thromboxane A2
(5Z)-7-[(1R,2S,3R,5R)-3-[(1E,3S)-3-HYDROXYOCT-1-EN-1-YL]BICYCLO[3.1.1]HEPTAN-2-YL]HEPT-5-ENOIC ACID
(Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
(Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-norpinanyl]hept-5-enoic acid
(Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]norpinan-2-yl]hept-5-enoic acid
More...

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

0K593AJ3OL [DBID]
UNII:0K593AJ3OL [DBID]
UNII-0K593AJ3OL [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 500.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 270.3±19.7 °C
Index of Refraction: 1.549
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 3442.52
ACD/KOC (pH 5.5): 6961.91
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 55.03
ACD/KOC (pH 7.4): 111.29
Polar Surface Area: 58 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 329.9±3.0 cm3

Click to predict properties on the Chemicalize site


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