Found 1 result

Search term: XNRNNGPBEPRNAR-JQBLCGNGSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z,9beta,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oate | C20H33O6

(5Z,9β,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oate

  • Molecular FormulaC20H33O6
  • Average mass369.473 Da
  • Monoisotopic mass369.228271 Da
  • ChemSpider ID58145810

  • Charge - Charge

    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

(5Z,9β,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oat [German] [ACD/IUPAC Name]
(5Z,9β,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oate [ACD/IUPAC Name]
(5Z,9β,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dién-1-oate [French] [ACD/IUPAC Name]
D-erythro-Pentopyranose, 4-[(2Z)-6-carboxy-2-hexen-1-yl]-2,4-dideoxy-5-C-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, ion(1-), (5R)- [ACD/Index Name]
(5Z,13E,15S)-9α,11,15-trihydroxythromboxa-5,13-dien-1-oate
THROMBOXANE B2
thromboxane B2(1-)
  • Miscellaneous

    • Chemical Class:

      A thromboxane anion that is the conjugate base of thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:90696

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

Density:
Boiling Point: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 199.7±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 2.87
ACD/KOC (pH 5.5): 43.42
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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