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Reference substances

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IUPAC name:
Solvate of (2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol with 2-butyne-1, 4-diol (1:1)

Inventory

CAS number:
960404-59-5
Synonyms
Names:
BMS 587319-03

Molecular and structural information

Molecular formula:
C26 H33 Cl O9

Molecular weight:
524.99
SMILES notation:
CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)C3(OC)OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C=C1
InChl:
InChI=1S/C22H27ClO7.C4H6O2/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22;5-3-1-2-4-6/h4-9,11,18-21,24-27H,3,10,12H2,1-2H3;5-6H,3-4H2/t18-,19-,20+,21-,22+;/m1./s1
Structural formula:
Chemical structure

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