ChemSpider 2D Image | (1S)-1,5-Anhydro-6-O-[(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-6-O-[(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 ID58793352

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-6-O-[(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-6-O-[(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-6-O-[(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]
D-Glucitol, 1,5-anhydro-6-O-[(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]
162857-78-5 [RN]
MFCD23704367
polygalaxanthone III
polygalaxanthoneiii

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 973.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 148.5±3.0 kJ/mol
    Flash Point: 327.7±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: -0.31
    ACD/LogD (pH 5.5): -0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.29
    ACD/LogD (pH 7.4): -2.42
    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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