ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(1,1',3',4,6,6',7',8-octahydroxy-9,9'-dioxo-9H,9'H-2,4'-bixanthen-2'-yl)-D-glucitol | C32H24O17

(1S)-1,5-Anhydro-1-(1,1',3',4,6,6',7',8-octahydroxy-9,9'-dioxo-9H,9'H-2,4'-bixanthen-2'-yl)-D-glucitol

  • Molecular FormulaC32H24O17
  • Average mass680.523 Da
  • Monoisotopic mass680.101379 Da
  • ChemSpider ID8547844

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(1,1',3',4,6,6',7',8-octahydroxy-9,9'-dioxo-9H,9'H-2,4'-bixanthen-2'-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(1,1',3',4,6,6',7',8-octahydroxy-9,9'-dioxo-9H,9'H-2,4'-bixanthen-2'-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(1,1',3',4,6,6',7',8-octahydroxy-9,9'-dioxo-9H,9'H-2,4'-bixanthén-2'-yl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(1,1',3',4,6,6',7',8-octahydroxy-9,9'-dioxo[2,4'-bi-9H-xanthen]-2'-yl)-, (1S)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1169.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.1±3.0 kJ/mol
Flash Point: 379.1±27.8 °C
Index of Refraction: 1.857
Molar Refractivity: 158.3±0.3 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: -0.65
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.16
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 305 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 132.7±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

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