ChemSpider 2D Image | anthenoside L | C33H54O9

anthenoside L

  • Molecular FormulaC33H54O9
  • Average mass594.776 Da
  • Monoisotopic mass594.376770 Da
  • ChemSpider ID60596854

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3R,5S,6S,7R,9R,10R,13R,16R,17R)-16-{[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-10,13-dimethyl-17-[(2R,3E)-5-methyl-3-hexen-2-yl]-2,3,4,5,6,7,9,10,11,12,1 3,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3,6,7-triol (non-preferred name) [German] [ACD/IUPAC Name]
(3R,5S,6S,7R,9R,10R,13R,16R,17R)-16-{[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-10,13-dimethyl-17-[(2R,3E)-5-methyl-3-hexen-2-yl]-2,3,4,5,6,7,9,10,11,12,1 3,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,7-triol (non-preferred name) [ACD/IUPAC Name]
(3R,5S,6S,7R,9R,10R,13R,16R,17R)-16-{[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxyméthyl)-4-méthoxytétrahydro-2H-pyran-2-yl]oxy}-10,13-diméthyl-17-[(2R,3E)-5-méthyl-3-hexén-2-yl]-2,3,4,5,6,7,9,10,11,12,1 3,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrène-3,6,7-triol (non-preferred name) [French] [ACD/IUPAC Name]
anthenoside L

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 737.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 399.9±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 772.01
ACD/KOC (pH 5.5): 4060.32
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 772.00
ACD/KOC (pH 7.4): 4060.29
Polar Surface Area: 149 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 470.7±5.0 cm3

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