Hydroxyethyl Cellulose（HEC） - 2600～3300mpa.s,25℃ , CAS No.9004-62-0

CAS: 9004-62-0 Cat. No.: H104793 EC Number: 618-387-5

GRADE & PURITY 2600～3300mpa.s,25℃

Synonyms

H11622 | Hydroxyethyl-cellulose | 2-Hydroxyethyl cellulose | DTXSID60873934 | 2-O-(2-Hydroxyethyl)-4-O-methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol | FT-0627136 | SCHEMBL23306563 | 5-[6-[[3,4-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

H11622 | Hydroxyethyl-cellulose | 2-Hydroxyethyl cellulose | DTXSID60873934 | 2-O-(2-Hydroxyethyl)-4-O-methylhexopyranosyl-(1->4)-[4-O-methylhexopyranosyl-(1->6)]hexopyranosyl-(1->5)-2,6-anhydro-1-deoxyheptitol | FT-0627136 | SCHEMBL23306563 | 5-[6-[[3,4-

Specifications & Purity

2600～3300mpa.s,25℃

Storage

Room temperature,Desiccated

Shipped In

Normal

Names and Identifiers

Pubchem Sid

508815937

Canonical Smiles

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O

IUPAC Name

5-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-[4-hydroxy-3-(2-hydroxyethoxy)-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol

InChIKey

CWSZBVAUYPTXTG-UHFFFAOYSA-N

INCHI

1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3

Isomeric SMILES

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCO)O)O)O)O

WGK Germany

1

RTECS

FJ5958000

Reaxy-Rn

24866087

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24866087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds Oxanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - O-glycosyl compound - Glycosyl compound - Oxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• 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

• Melt Point(°C): 288-290°C
• Molecular Weight: 736.700 g/mol
• XLogP3: -7.700
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 15
• Exact Mass: 736.3 Da
• Monoisotopic Mass: 736.3 Da
• Topological Polar Surface Area: 315.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 999.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 20
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1