ChemSpider 2D Image | (1R,5S,6S,7R,8R)-8-[(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-3,9-dioxabicyclo[3.3.1]nonane-6,7-diyl diacetate | C25H34O16

(1R,5S,6S,7R,8R)-8-[(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)oxy]-3,9-dioxabicyclo[3.3.1]nonane-6,7-diyl diacetate

  • Molecular FormulaC25H34O16
  • Average mass590.528 Da
  • Monoisotopic mass590.184692 Da
  • ChemSpider ID32696896

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,5S,6S,7R,8R)-8-[(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)oxy]-3,9-dioxabicyclo[3.3.1]nonan-6,7-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,5S,6S,7R,8R)-8-[(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)oxy]-3,9-dioxabicyclo[3.3.1]nonane-6,7-diyl diacetate [ACD/IUPAC Name]
D-glycero-D-allo-Heptitol, 1,7:2,6-dianhydro-5-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, diacetate [ACD/Index Name]
Diacétate de (1R,5S,6S,7R,8R)-8-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-3,9-dioxabicyclo[3.3.1]nonane-6,7-diyle [French] [ACD/IUPAC Name]
1,6-Anhydro-b-D-cellobiosehexaacetate
2,3,2',3',4',6'-Hexa-O-acetyl-1,6-anhydro-b-D-cellobiose
38631-27-5 [RN]
MFCD15145342 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 259.4±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.63
ACD/KOC (pH 5.5): 303.72
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.63
ACD/KOC (pH 7.4): 303.72
Polar Surface Area: 195 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 429.0±5.0 cm3

Click to predict properties on the Chemicalize site


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