Found 1 result

Search term: KJYIVXDPWBUJBQ-UHHGALCXSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-5-heptenoate (non-preferred name) | C20H31O6

(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-5-heptenoate (non-preferred name)

  • Molecular FormulaC20H31O6
  • Average mass367.457 Da
  • Monoisotopic mass367.212616 Da
  • ChemSpider ID76962872

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-5-heptenoat (non-preferred name) [German] [ACD/IUPAC Name]
(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-5-heptenoate (non-preferred name) [ACD/IUPAC Name]
(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octén-1-yl]-6-oxotétrahydro-2H-pyran-3-yl}-5-hepténoate (non-preferred name) [French] [ACD/IUPAC Name]
(5Z)-7-{(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl}hept-5-enoate
(5Z,13E,15S)-9α,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oate
11-Dehydro-thromboxane B2
11-dehydro-thromboxane B2(1-)
11-dehydro-TXB22(1-)

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

Density:
Boiling Point: 588.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 202.9±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 4.98
ACD/KOC (pH 5.5): 64.33
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.03
Polar Surface Area: 107 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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