Methylcellulose（MC） - 40000mPa.s , CAS No.9004-67-5

CAS: 9004-67-5 Cat. No.: M112868 EC Number: 618-391-7 PubChem CID: 51063134

GRADE & PURITY 40000mPa.s

Synonyms

Methocel 181 | Metilcellulosa | MRJ667KA5E | Hydrolose | Methocel 4000CPS | Cesca MC 25S | UNII-ME8KD9K6LP | 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione-17-valerate | Celacol M 2500 | Napolone | Celacol WA | EMP-H

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

Methocel 181 | Metilcellulosa | MRJ667KA5E | Hydrolose | Methocel 4000CPS | Cesca MC 25S | UNII-ME8KD9K6LP | 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione-17-valerate | Celacol M 2500 | Napolone | Celacol WA | EMP-H

Specifications & Purity

40000mPa.s

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Names and Identifiers

Pubchem Sid

508814907

Canonical Smiles

[*]OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[*])O[C@@H](O[*])[C@H](O[*])[C@H]2O[*])[C@H](O[*])[C@@H](O[*])[C@@H]1O[*]

IUPAC Name

(5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane

InChIKey

YLGXILFCIXHCMC-JHGZEJCSSA-N

INCHI

1S/C20H38O11/c1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h11-20H,9-10H2,1-8H3/t11?,12?,13?,14-,15?,16?,17?,18?,19?,20+/m1/s1

Isomeric SMILES

COCC1[C@H](C(C(C(O1)OC)OC)OC)O[C@H]2C(C(C(C(O2)COC)OC)OC)OC

WGK Germany

1

RTECS

FJ5959000

PubChem CID

51063134

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Disaccharides Oxanes Oxacyclic compounds Dialkyl ethers Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Disaccharide - Oxane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 454.500 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 454.241 Da
• Monoisotopic Mass: 454.241 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 496.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 8
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1