Chitosan

• CAS: 9012-76-4
• Catalog Number: ACM9012764
• Category: Main Products
• Molecular Weight: 1526.5g/mol
• Molecular Formula: C6H13NO4
• Description: Active ingredient chitosan is de-acylated chitin. Derived from crustacean shells. Used as film-former and hair-fixative. Also used as deodorising agent. It possesses antimicrobial and excellent skin care properties. It prevents the excessive generation of odor-forming substances.
• Synonyms: Chitin, deacylated
• 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
• Canonical 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
• InChI: 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
• InChI Key: FLASNYPZGWUPSU-SICDJOISSA-N
• Melting Point: 102.5 °C
• Density: 1.0g/ml
• Appearance: Fine, off-white powder, characteristic odor
• Application: In the agricultural sector: as growth promoters, bio-pesticides, feed additives, seed treatment.
• Storage: Store light-protected at a cool and dry place
• Complexity: 2630
• Covalently-Bonded Unit Count: 1
• EC Number: 618-480-0
• Exact Mass: 1525.635315g/mol
• Form: Powder
• Formal Charge: 0
• Hazard Codes: Xn
• H-Bond Acceptor: 47
• H-Bond Donor: 29
• Heavy Atom Count: 104
• HS Code: 2936210000
• LogP: -1.52550
• Loss On Drying: 0.5 ppm
• Monoisotopic Mass: 1525.635315g/mol
• Odor: Odorless
• pH: 7.0-8.0
• Physical State: Solid
• PSA: 95.94
• Refractive Index: 1.7
• Rotatable Bond Count: 27
• Solubility In Water: Insoluble
• Stability: Stable. Incompatible with strong oxidizing agents.
• Storage Conditions: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
• XLogP3: -21.4

Custom Q&A

What is the PubChem CID of chitosan?

The PubChem CID of chitosan is 71853.

What is the molecular formula of chitosan?

The molecular formula of chitosan is C56H103N9O39.

What is the molecular weight of chitosan?

The molecular weight of chitosan is 1526.5 g/mol.

What is the structure of chitosan?

The structure of chitosan is a linear polysaccharide consisting of D-glucosamine and N-acetyl-D-glucosamine.

Where is naturally-occurring chitosan found?

Naturally-occurring chitosan is found in the cell walls of fungi, soil, and sediments.

How is commercial chitosan derived?

Commercial chitosan is derived from the deacetylation of chitin contained in the shells of various sea crustaceans such as shrimps.

What are the reported effects of chitosan?

Chitosan is reported to have effects on protein aggregation, emulsification capacity, film-forming ability, clarifying ability, and fatty acid absorption capability.

What additional activities does chitosan exhibit?

Chitosan also exhibits antimicrobial and antioxidant activities.

Where else can chitosan be found in nature?

Chitosan is found in Didymella pinodes, a natural product.

How does chitosan potentially reduce the development and progression of certain cancers?

Chitosan may reduce advanced glycation end product (AGE) levels, which can limit the interaction between AGEs and the receptor for advanced glycation end products (RAGE). This interaction is associated with poor patient outcomes in some tumor types.