(2R,3R,4S,5S,6R)-2-(((Z)-1-((1,3-dioxoisoindolin-5-yl)imino)-3-((E)-2-((1,3-dioxoisoindolin-5-yl)imino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-y l acetate

• ChemBase ID: 188070
• Molecular Formular: C30H30N4O14
• Molecular Mass: 670.5776
• Monoisotopic Mass: 670.17585166
• SMILES: C1(C(C(OC(C1O)CO)OC(C(OC(/C=N/c1cc2C(=O)NC(=O)c2cc1)O)CO)/C=N\c1cc2C(=O)NC(=O)c2cc1)O)OC(=O)C
• Canonical SMILES: OCC(C(OC1OC(CO)C(C(C1O)OC(=O)C)O)/C=N\c1ccc2c(c1)C(=O)NC2=O)OC(/C=N/c1ccc2c(c1)C(=O)NC2=O)O
• InChI: InChI=1S/C30H30N4O14/c1-12(37)45-25-23(39)21(11-36)48-30(24(25)40)47-19(8-31-13-2-4-15-17(6-13)28(43)33-26(15)41)20(10-35)46-22(38)9-32-14-3-5-16-18(7-14)29(44)34-27(16)42/h2-9,19-25,30,35-36,38-40H,10-11H2,1H3,(H,33,41,43)(H,34,42,44)/b31-8-,32-9+
• InChIKey: AJXUPLOBUBJQMB-HPTXEUOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S,6R)-2-(((Z)-1-((1,3-dioxoisoindolin-5-yl)imino)-3-((E)-2-((1,3-dioxoisoindolin-5-yl)imino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-y l acetate
• IUPAC Traditional name: (2R,3R,4S,5S,6R)-2-(((Z)-1-((1,3-dioxoisoindolin-5-yl)imino)-3-((E)-2-((1,3-dioxoisoindolin-5-yl)imino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-y l acetate

Database IDs

• PubChem SID: 164243980
• PubChem CID: 3517460

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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