ChemSpider 2D Image | (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6- methyltetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carboxylate (non-preferred name) | C35H52O15

(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6- methyltetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carboxylate (non-preferred name)

  • Molecular FormulaC35H52O15
  • Average mass712.778 Da
  • Monoisotopic mass712.330627 Da
  • ChemSpider ID115267439

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6- methyltetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carboxylate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl-(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6- methyltetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-10H-cyclopenta[a]phenanthren-10-carboxylat (non-preferred name) [German] [ACD/IUPAC Name]
(3S,5R,8R,9S,10R,13R,14S,17R)-14-Hydroxy-13-méthyl-17-(5-oxo-2,5-dihydro-3-furanyl)-3-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}hexadécahydro-10H-cyclopenta[a]phénanthrè ne-10-carboxylate de (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yle (non-preferred name) [French] [ACD/IUPAC Name]
Antiaroside F

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

Density: 1.5±0.1 g/cm3
Boiling Point: 894.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.7±6.0 kJ/mol
Flash Point: 277.4±27.8 °C
Index of Refraction: 1.641
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.66
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.66
Polar Surface Area: 242 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 80.6±5.0 dyne/cm
Molar Volume: 472.6±5.0 cm3

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