Hydroxybutyl-chitosan
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1-hydroxybutyl)-2-(hydroxymethyl)oxane-3,4-diol
Molecular Identity
Hydroxybutyl-chitosan
(2R,3S,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6S)-5-amino-6-[(2R,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(1-hydroxybutyl)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID: 145825473
2D Structure
Properties
C22H43N3O14
Molecular Formula
573.60
Molecular Weight
g/mol
573.2745
Exact Mass
Da
-7.2
XLogP
Drug-like (Lipinski: < 5)
306
TPSA
May have limited oral absorption
12
H-Bond Donors
17
H-Bond Acceptors
774
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C1(C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)N)O)O)CO)OIsomeric SMILES
SMILES: CCCC([C@@]1([C@H]([C@@H]([C@H]([C@H](O1)OC2[C@H](O[C@H]([C@@H]([C@H]2O)N)OC3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)N)O)O)CO)OSynonyms(1)
hydroxybutyl-chitosan
Data from PubChem (NCBI)
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Trials and conditions connected to Hydroxybutyl-chitosan
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