ChemSpider 2D Image | (5R,8S)-1,1',3,4',5,6',8'-Heptahydroxy-9,9'-dioxo-5,7,8,9-tetrahydro-6H,9'H-2,2'-bixanthen-8-yl beta-D-glucopyranoside | C32H28O17

(5R,8S)-1,1',3,4',5,6',8'-Heptahydroxy-9,9'-dioxo-5,7,8,9-tetrahydro-6H,9'H-2,2'-bixanthen-8-yl β-D-glucopyranoside

  • Molecular FormulaC32H28O17
  • Average mass684.555 Da
  • Monoisotopic mass684.132629 Da
  • ChemSpider ID25050684

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R,8S)-1,1',3,4',5,6',8'-Heptahydroxy-9,9'-dioxo-5,7,8,9-tetrahydro-6H,9'H-2,2'-bixanthen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
(5R,8S)-1,1',3,4',5,6',8'-Heptahydroxy-9,9'-dioxo-5,7,8,9-tetrahydro-6H,9'H-2,2'-bixanthen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
[2,2'-Bi-9H-xanthene]-9,9'-dione, 8-(β-D-glucopyranosyloxy)-5,6,7,8-tetrahydro-1,1',3,4',5,6',8'-heptahydroxy-, (5R,8S)- [ACD/Index Name]
β-D-Glucopyranoside de (5R,8S)-1,1',3,4',5,6',8'-heptahydroxy-9,9'-dioxo-5,7,8,9-tétrahydro-6H,9'H-2,2'-bixanthén-8-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 1141.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.3±3.0 kJ/mol
Flash Point: 369.0±27.8 °C
Index of Refraction: 1.881
Molar Refractivity: 156.1±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -3.70
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.70
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 164.0±5.0 dyne/cm
Molar Volume: 340.7±5.0 cm3

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