ChemSpider 2D Image | Thromboxane B1 | C20H36O6

Thromboxane B1

  • Molecular FormulaC20H36O6
  • Average mass372.496 Da
  • Monoisotopic mass372.251190 Da
  • ChemSpider ID29341949

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(9β,13E,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid [ACD/IUPAC Name]
(9β,13E,15S)-9,11,15-Trihydroxythrombox-13-en-1-säure [German] [ACD/IUPAC Name]
64626-32-0 [RN]
Acide (9β,13E,15S)-9,11,15-trihydroxythrombox-13-én-1-oïque [French] [ACD/IUPAC Name]
D-erythro-Pentopyranose, 4-(6-carboxyhexyl)-2,4-dideoxy-5-C-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, (5R)- [ACD/Index Name]
Thromboxane B1
(9S,13E,15S)-9,11,15-trihydroxythrombox-13-en-1-oic acid
[64626-32-0] [RN]
7-((2R,3S,4S)-4,6-Dihydroxy-2-((S,E)-3-hydroxyoct-1-en-1-yl)tetrahydro-2H-pyran-3-yl)heptanoic acid
7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]heptanoic acid
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 196.6±23.6 °C
Index of Refraction: 1.547
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 6.46
ACD/KOC (pH 5.5): 78.39
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 107 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 322.5±3.0 cm3

Click to predict properties on the Chemicalize site


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