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ChemSpider 2D Image | [2,3-diacetoxy-6-(acetoxymethyl)-5-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] acetate; [2,3-di(propanoyloxy)-6-(propanoyloxymethyl)-5-[3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] propanoate; 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol | C76H114O49

[2,3-diacetoxy-6-(acetoxymethyl)-5-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] acetate; [2,3-di(propanoyloxy)-6-(propanoyloxymethyl)-5-[3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl] propanoate; 2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol

  • Molecular FormulaC76H114O49
  • Average mass1811.689 Da
  • Monoisotopic mass1810.642822 Da
  • ChemSpider ID2341163

More details:

Date of deprecation: 15:11, Jan 10, 2014
Reason for deprecation: Deprecate record: attempt to provide a structure for a bio-oligomer(cellulose) without well defined structure

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

251903-03-4 [RN]
9004-39-1 [RN]
cellulose acetate propionate
Cellulose, acetate propanoate

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

Density:
Boiling Point: 754.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 109.9±0.0 kJ/mol
Flash Point: 299.9±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 115673.62
ACD/KOC (pH 5.5): 146501.17
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 115673.62
ACD/KOC (pH 7.4): 146501.17
Polar Surface Area: 238 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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