ChemSpider 2D Image | (3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-17-[(1R,4S)-4-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,5-dimethyl-hexyl]-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,6,8,15-tetrol | C39H68O14

(3S,4R,5S,6R,8S,9R,10S,13R,14S,15S,17R)-17-[(1R,4S)-4-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,5-dimethyl-hexyl]-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-4,6,8,15-tetrol

  • Molecular FormulaC39H68O14
  • Average mass760.949 Da
  • Monoisotopic mass760.460938 Da
  • ChemSpider ID23338974

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,4β,5α,6β,15α,24S)-3-[(2,4-Di-O-methyl-β-D-xylopyranosyl)oxy]-4,6,8,15-tetrahydroxycholestan-24-yl-α-L-arabinofuranosid [German] [ACD/IUPAC Name]
α-L-Arabinofuranoside de (3β,4β,5α,6β,15α,24S)-3-[(2,4-di-O-méthyl-β-D-xylopyranosyl)oxy]-4,6,8,15-tétrahydroxycholestan-24-yle [French] [ACD/IUPAC Name]
(3β,4β,5α,6β,15α,24S)-3-[(2,4-di-O-methyl-β-D-xylopyranosyl)oxy]-4,6,8,15-tetrahydroxycholestan-24-yl α-L-arabinofuranoside [ACD/IUPAC Name]
forbeside J
laeviuscoloside G
α-L-arabinofuranoside, (3β,4β,5α,6β,15α,24S)-3-[(2,4-di-O-methyl-β-D-xylopyranosyl)oxy]-4,6,8,15-tetrahydroxycholestan-24-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 878.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.0±6.0 kJ/mol
Flash Point: 484.9±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.31
ACD/KOC (pH 5.5): 171.88
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.31
ACD/KOC (pH 7.4): 171.88
Polar Surface Area: 217 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 577.1±5.0 cm3

Click to predict properties on the Chemicalize site


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