ChemSpider 2D Image | (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(6R,10R,12S,13S,14R,17S)-3,12-Dihydroxy-17-[(2S,5E)-2-hydroxy-6-methyl-5-octen-2-yl]-4,4,10,14-tetramethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl}oxy)- 4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | C42H72O14

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(6R,10R,12S,13S,14R,17S)-3,12-Dihydroxy-17-[(2S,5E)-2-hydroxy-6-methyl-5-octen-2-yl]-4,4,10,14-tetramethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl}oxy)- 4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID4945238

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 17 of 21 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(6R,10R,12S,13S,14R,17S)-3,12-Dihydroxy-17-[(2S,5E)-2-hydroxy-6-methyl-5-octen-2-yl]-4,4,10,14-tetramethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl}oxy)- 4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(6R,10R,12S,13S,14R,17S)-3,12-Dihydroxy-17-[(2S,5E)-2-hydroxy-6-methyl-5-octen-2-yl]-4,4,10,14-tetramethylhexadecahydro-1H-cyclopenta[a]phenanthren-6-yl}oxy)- 4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-({(6R,10R,12S,13S,14R,17S)-3,12-Dihydroxy-17-[(2S,5E)-2-hydroxy-6-méthyl-5-octén-2-yl]-4,4,10,14-tétraméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-6-yl}oxy)- 4,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (6β,8ξ,9ξ,12α,13α,14β,17β)-3,12-dihydroxy-17-[(1S,4E)-1-hydroxy-1,5-dimethyl-4-hepten-1-yl]-4,4,10,14-tetramethylgonan-6-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
52286-58-5 [RN]
C055328
Ginsenoside Rf
Panaxoside RF

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

Density: 1.3±0.1 g/cm3
Boiling Point: 921.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.0±6.0 kJ/mol
Flash Point: 510.8±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.04
ACD/KOC (pH 5.5): 690.54
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.04
ACD/KOC (pH 7.4): 690.54
Polar Surface Area: 239 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 600.6±5.0 cm3

Click to predict properties on the Chemicalize site


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