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ChemSpider 2D Image | Methyl cellulose | C29H54O16

Methyl cellulose

  • Molecular FormulaC29H54O16
  • Average mass658.729 Da
  • Monoisotopic mass658.341187 Da
  • ChemSpider ID23107149

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

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

2,3,4,6-Tétra-O-méthyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-méthyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-méthyl-β-D-glucopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2,3,4,6-tetra-O-methyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-methyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
Methyl cellulose
Methyl-2,3,4,6-tetra-O-methyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-methyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
metilcelulosa [INN_es]
β-D-Glucopyranoside, methyl O-2,3,4,6-tetra-O-methyl-β-D-glucopyranosyl-(1->4)-O-2,3,6-tri-O-methyl-β-D-glucopyranosyl-(1->4)-2,3,6-tri-O-methyl- [ACD/Index Name]
9004-67-5 [RN]
Cellulose methyl
cellulose methyl ether
Cellulose methyl; cellulose methyl ether; Cellulose methylate; methylated cellulose; Methylcellulose; Methylcellulosum; Metilcelulosa
More...

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

11200258; 8189187 [DBID]
  • Miscellaneous

    • Chemical Class:

      A (1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-glucan compound formed by methylating cellulose through exposure to NaOH/CH3Cl. ChEBI CHEBI:53448
      A (1->4)-beta-D-glucan compound formed by methylating cellulose through exposure to NaOH/CH3Cl. ChEBI CHEBI:53448

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 240.7±31.4 °C
Index of Refraction: 1.484
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.96
ACD/KOC (pH 5.5): 504.94
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 41.96
ACD/KOC (pH 7.4): 504.94
Polar Surface Area: 148 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 551.3±5.0 cm3

Click to predict properties on the Chemicalize site


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