Chitosan - Derived from shrimp shells, practical grade , CAS No.9012-76-4

CAS: 9012-76-4 Cat. No.: C434554 Formula: (C₆H₁₁NO₄)n EC Number: 618-480-0

GRADE & PURITY Derived from shrimp shells, practical grade

Synonyms

Kytex M | Chitopearl BCW 3505 | Chitopearl BCW 2500 | Chitosan | Sea Cure F | Kimitsu Chitosan H | Flonac N | Flonac C | Sea Cure Plus | Chicol | Kimitsu Chitosan M | Chitopearl 3510 | Kimitsu Chitosan L | Kimitsu Chitosan F | Kimitsu Chitosan F 2 | Polig

Storage

Room temperature

Overview

Application

Forms gels with multivalent anions. Gives clear solutions that dry to strong, clear films.

Specifications

Synonyms

Kytex M | Chitopearl BCW 3505 | Chitopearl BCW 2500 | Chitosan | Sea Cure F | Kimitsu Chitosan H | Flonac N | Flonac C | Sea Cure Plus | Chicol | Kimitsu Chitosan M | Chitopearl 3510 | Kimitsu Chitosan L | Kimitsu Chitosan F | Kimitsu Chitosan F 2 | Polig

Specifications & Purity

Derived from shrimp shells, practical grade

Storage

Room temperature

Names and Identifiers

Pubchem Sid

504754640

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754640

IUPAC Name

methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate

InChIKey

FLASNYPZGWUPSU-SICDJOISSA-N

INCHI

1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1

Isomeric SMILES

COC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O

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: Aminoglycosides O-glycosyl compounds Oxanes Methylcarbamates 1,2-aminoalcohols Secondary alcohols Hemiacetals Organic carbonic acids and derivatives Acetals Oxacyclic compounds Monoalkylamines Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - Aminoglycoside core - Glycosyl compound - O-glycosyl compound - Amino saccharide - Oxane - Methylcarbamate - Carbamic acid ester - 1,2-aminoalcohol - Secondary alcohol - Hemiacetal - Carbonic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Alcohol - Organopnictogen compound - 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

• Solubility: 1 M acetic acid: 10mg/mL
• Melt Point(°C): 102.5°C
• Molecular Weight: 1526.500 g/mol
• XLogP3: -21.400
• Hydrogen Bond Donor Count: 29
• Hydrogen Bond Acceptor Count: 47
• Rotatable Bond Count: 27
• Exact Mass: 1525.64 Da
• Monoisotopic Mass: 1525.64 Da
• Topological Polar Surface Area: 808.000 Ų
• Heavy Atom Count: 104
• Formal Charge: 0
• Complexity: 2630.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 45
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1