ChemSpider 2D Image | (1S)-1,5-Anhydro-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol | C25H28O15

(1S)-1,5-Anhydro-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

  • Molecular FormulaC25H28O15
  • Average mass568.481 Da
  • Monoisotopic mass568.142822 Da
  • ChemSpider ID62809105

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-1-(1,3,6-trihydroxy-7-méthoxy-9-oxo-9H-xanthén-2-yl)-D-glucitol [French] [ACD/IUPAC Name]
2-[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-one
2-[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
857859-82-6 [RN]
D-Glucitol, 1,5-anhydro-2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-1-C-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-, (1S)- [ACD/Index Name]
Polygalaxanthone XI

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

Density: 1.8±0.1 g/cm3
Boiling Point: 977.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.2±3.0 kJ/mol
Flash Point: 329.1±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.89
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 127.2±5.0 dyne/cm
Molar Volume: 309.5±5.0 cm3

Click to predict properties on the Chemicalize site


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