ChemSpider 2D Image | (5Z)-7-[(2S,3R,4R)-4-Hydroxy-2-[(1Z,3R)-3-hydroxy(2,3-~3~H_2_)-1-octen-1-yl]-6-oxo(2,3,4-~3~H_3_)tetrahydro-2H-pyran-3-yl](5,6-~3~H_2_)-5-heptenoic acid | C20H25T7O6

(5Z)-7-[(2S,3R,4R)-4-Hydroxy-2-[(1Z,3R)-3-hydroxy(2,3-3H2)-1-octen-1-yl]-6-oxo(2,3,4-3H3)tetrahydro-2H-pyran-3-yl](5,6-3H2)-5-heptenoic acid

  • Molecular FormulaC20H25T7O6
  • Average mass382.521 Da
  • Monoisotopic mass382.277466 Da
  • ChemSpider ID9968979

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z)-7-[(2S,3R,4R)-4-Hydroxy-2-[(1Z,3R)-3-hydroxy(2,3-3H2)-1-octen-1-yl]-6-oxo(2,3,4-3H3)tetrahydro-2H-pyran-3-yl](5,6-3H2)-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-[(2S,3R,4R)-4-Hydroxy-2-[(1Z,3R)-3-hydroxy(2,3-3H2)-1-octen-1-yl]-6-oxo(2,3,4-3H3)tetrahydro-2H-pyran-3-yl](5,6-3H2)-5-heptensäure [German] [ACD/IUPAC Name]
Acide (5Z)-7-[(2S,3R,4R)-4-hydroxy-2-[(1Z,3R)-3-hydroxy(2,3-3H2)-1-octén-1-yl]-6-oxo(2,3,4-3H3)tétrahydro-2H-pyran-3-yl](5,6-3H2)-5-hepténoïque [French] [ACD/IUPAC Name]

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: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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