N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3- yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran- 3-yl)acetamide

• ChemBase ID: 120104
• Molecular Formular: C24H41N3O16
• Molecular Mass: 627.59284
• Monoisotopic Mass: 627.24868225
• SMILES: [C@@H]1([C@@H](C([C@@H](OC1CO)O)NC(=O)C)O)O[C@H]1C(C([C@H](O[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)NC(=O)C)[C@H](O1)CO)O)NC(=O)C
• Canonical SMILES: OC[C@H]1O[C@@H](O[C@@H]2C(CO)O[C@H](C([C@H]2O)NC(=O)C)O)C(C([C@@H]1O[C@@H]1OC(CO)[C@H]([C@@H](C1NC(=O)C)O)O)O)NC(=O)C
• InChI: InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10?,11?,12-,13?,14?,15?,16+,17+,18+,19?,20+,21+,22+,23-,24-/m0/s1
• InChIKey: WZZVUHWLNMNWLW-YXUGURMYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3- yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran- 3-yl)acetamide
• IUPAC Traditional name: N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3- yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran- 3-yl)acetamide
• Synonyms: N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3- yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran- 3-yl)acetamide; Chitin

Database IDs

• CAS Number: 1398-61-4
• PubChem SID: 162214457
• PubChem CID: 51051829

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Mechanism of Action: Antihaemorrhagic

Product Information

• Description: polimer, MW = 300000-400000
• Biological Source: Occurs in shells of crustacea, most fungi, mycelial yeast, green algae and some brown and red algae
• Application(s): Wound healant

DETAILS

InterBioScreen - BB_NC-2599

polimer, MW = 300000-400000

REFERENCES

• Chitin Nat. Technol. Proc. Int. Conf. Chitin Chitosan, 3rd, 1985, (Eds. Muzzarelli, R.A.A. et al), Plenum Press, 1986,
• Chitin and Chitosan: Biochem. Phys. Props., Applications, (Eds. Skjak-Braek, G. et al), Elsevier, Amsterdam, 1989