(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-((4-hydroxy-3-(1-hydroxy-2-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)ethoxy)-1-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)butan-2-yl)oxy)-6-(hydroxymethyl)t etrahydro-2H-pyran-4-yl acetate

• ChemBase ID: 188389
• Molecular Formular: C36H40N2O12
• Molecular Mass: 692.709
• Monoisotopic Mass: 692.25812473
• SMILES: C1(C(C(OC(C1O)CO)OC(C(OC(C/N=C/c1c2c(ccc1O)cccc2)O)CO)C/N=C/c1c2c(ccc1O)cccc2)O)OC(=O)C
• Canonical SMILES: OCC(C(OC1OC(CO)C(C(C1O)OC(=O)C)O)C/N=C/c1c(O)ccc2c1cccc2)OC(C/N=C/c1c(O)ccc2c1cccc2)O
• InChI: InChI=1S/C36H40N2O12/c1-20(41)47-35-33(45)31(19-40)50-36(34(35)46)49-29(16-37-14-25-23-8-4-2-6-21(23)10-12-27(25)42)30(18-39)48-32(44)17-38-15-26-24-9-5-3-7-22(24)11-13-28(26)43/h2-15,29-36,39-40,42-46H,16-19H2,1H3/b37-14+,38-15+
• InChIKey: UQDZTVYOULVNSL-FORRVPSXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S,6R)-3,5-dihydroxy-2-((4-hydroxy-3-(1-hydroxy-2-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)ethoxy)-1-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)butan-2-yl)oxy)-6-(hydroxymethyl)t etrahydro-2H-pyran-4-yl acetate
• IUPAC Traditional name: (2R,3R,4S,5S,6R)-3,5-dihydroxy-2-((4-hydroxy-3-(1-hydroxy-2-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)ethoxy)-1-((E)-((2-hydroxynaphthalen-1-yl)methylene)amino)butan-2-yl)oxy)-6-(hydroxymethyl)t etrahydro-2H-pyran-4-yl acetate

Database IDs

• PubChem SID: 164244299
• PubChem CID: 5910303

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: Polymer, n=50-52
• Classification: Rare Derivatives of Natural Compounds