Chitosan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 637
Total Number of Articles : 1055
PubChem 21896651
Molecular Formula

C56H103N9O39

SMILES

COC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(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)

synonyms
  • Chitosan
  • 9012-76-4
  • PD055893
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Properties
Property Value
MW 1526.5 g/mol
HBD 29
HBA 47
Rotatable Bond Count 27
Exact Mass 1525.6353145 g/mol
Monoisotopic Mass 1525.6353145 g/mol
Heavy Atom Count 104
Isotope Atom Count 0
Atom Stereo Count 45
Covalent Unit Count 1
Complexity 2630
xlogp -21.4
Topological Polar Surface Area 808