ChemSpider 2D Image | (5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}(3,3,4,4-~2~H_4_)-5-heptenoic acid (non-preferred name) | C20H28D4O6

(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}(3,3,4,4-2H4)-5-heptenoic acid (non-preferred name)

  • Molecular FormulaC20H28D4O6
  • Average mass372.489 Da
  • Monoisotopic mass372.244995 Da
  • ChemSpider ID107443947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 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-{(2R,3S,4S)-4-Hydroxy-2-[(1E)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}(3,3,4,4-2H4)-5-heptenoic acid (non-preferred name) [ACD/IUPAC Name]
(5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}(3,3,4,4-2H4)-5-heptensäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (5Z)-7-{(2R,3S,4S)-4-hydroxy-2-[(1E)-3-hydroxy-1-octén-1-yl]-6-oxotétrahydro-2H-pyran-3-yl}(3,3,4,4-2H4)-5-hepténoïque (non-preferred name) [French] [ACD/IUPAC Name]
1240398-15-5 [RN]

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

Density: 1.2±0.1 g/cm3
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: 1.552
Molar Refractivity: 100.9±0.3 cm3
#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: 40.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 315.6±3.0 cm3

Click to predict properties on the Chemicalize site


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