| CAS Number | 83512-85-0 |
| Catalog Number | AG00ILN5(AGN-PC-0UOQ23) |
| Chemical Name | Chitosan, N-(carboxymethyl) |
| IUPAC Name | N-[(2S,3R,4R,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| InChI | InChI=1S/C20H37N3O14/c1-5(27)23-11-15(31)17(36-19-10(22)13(29)12(28)6(2-24)34-19)8(4-26)35-20(11)37-16-7(3-25)33-18(32)9(21)14(16)30/h6-20,24-26,28-32H,2-4,21-22H2,1H3,(H,23,27)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16?,17?,18-,19+,20+/m1/s1 |
| InChI Key | HGNQXZLWHDQLRE-XADFZESNSA-N |
| MDL Number | MFCD00677440 |
| Molecular Formula | C20H37N3O14 |
| Molecular Weight | 543.5195 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)O)CO)CO)OC3C(C(C(C(O3)CO)O)O)N)O |
| Synonyms | N-(carboxymethyl)chitosan,
Carboxymethyl chitosan,
83512-85-0,
N-Acetylchitosan,
MFCD00677440,
Q763,
N-(Carboxymethyl)chitosan,
|
| Complexity | 753 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 13 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 543.228g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 11 |
| Isotope Atom Count | 0 |
| Molecular Weight | 543.523g/mol |
| Monoisotopic Mass | 543.228g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 289A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -7.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number