(2R,3R,4S,5S,6R)-2-(((Z)-1-((3S,5S,7S)-adamantan-1-ylimino)-3-((E)-2-((1R,3S)-adamantan-1-ylimino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl ace tate

• ChemBase ID: 187980
• Molecular Formular: C34H52N2O10
• Molecular Mass: 648.78408
• Monoisotopic Mass: 648.36219587
• SMILES: C1(C(C(OC(C1O)CO)OC(C(OC(/C=N/C12CC3CC(C2)CC(C1)C3)O)CO)/C=N\C12CC3CC(C1)CC(C2)C3)O)OC(=O)C
• Canonical SMILES: OCC(C(OC1OC(CO)C(C(C1O)OC(=O)C)O)/C=N\C12CC3CC(C2)CC(C1)C3)OC(/C=N/C12CC3CC(C2)CC(C1)C3)O
• InChI: InChI=1S/C34H52N2O10/c1-18(39)43-31-29(41)27(17-38)46-32(30(31)42)45-25(14-35-33-8-19-2-20(9-33)4-21(3-19)10-33)26(16-37)44-28(40)15-36-34-11-22-5-23(12-34)7-24(6-22)13-34/h14-15,19-32,37-38,40-42H,2-13,16-17H2,1H3/b35-14-,36-15+
• InChIKey: VWPIOIFBLJCXDC-OACVJYBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S,6R)-2-(((Z)-1-((3S,5S,7S)-adamantan-1-ylimino)-3-((E)-2-((1R,3S)-adamantan-1-ylimino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl ace tate
• IUPAC Traditional name: (2R,3R,4S,5S,6R)-2-(((Z)-1-((3S,5S,7S)-adamantan-1-ylimino)-3-((E)-2-((1R,3S)-adamantan-1-ylimino)-1-hydroxyethoxy)-4-hydroxybutan-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl ace tate

Database IDs

• PubChem SID: 164243890
• PubChem CID: 3776416

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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