ChemSpider 2D Image | (3R,4S,5S,6R,3'S,4'R,5'R,6'S)-4,4'-[(10Z)-10-Icosene-1,20-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol] | C32H60O10

(3R,4S,5S,6R,3'S,4'R,5'R,6'S)-4,4'-[(10Z)-10-Icosene-1,20-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol]

  • Molecular FormulaC32H60O10
  • Average mass604.813 Da
  • Monoisotopic mass604.418640 Da
  • ChemSpider ID23266820

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3R,4S,5S,6R,3'S,4'R,5'R,6'S)-4,4'-(10Z)-icos-10-ene-1,20-diylbis[6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol] (non-preferred name)
(3R,4S,5S,6R,3'S,4'R,5'R,6'S)-4,4'-[(10Z)-10-Icosen-1,20-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol] [German] [ACD/IUPAC Name]
(3R,4S,5S,6R,3'S,4'R,5'R,6'S)-4,4'-[(10Z)-10-Icosene-1,20-diyl]bis[6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol] [ACD/IUPAC Name]
(3R,4S,5S,6R,3'S,4'R,5'R,6'S)-4,4'-[(10Z)-10-Icosène-1,20-diyl]bis[6-(hydroxyméthyl)tétrahydro-2H-pyrane-2,3,5-triol] [French] [ACD/IUPAC Name]
(3R,4S,5S,6R)-6-(hydroxymethyl)-4-((Z)-20-((3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-4-yl)icos-10-enyl)-tetrahydro-2H-pyran-2,3,5-triol
CHEMBL203809

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

Density: 1.2±0.1 g/cm3
Boiling Point: 780.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.5±6.0 kJ/mol
Flash Point: 426.0±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 162.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 301.52
ACD/KOC (pH 5.5): 2071.57
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 301.51
ACD/KOC (pH 7.4): 2071.53
Polar Surface Area: 180 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 518.4±3.0 cm3

Click to predict properties on the Chemicalize site


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