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benzyl 2-(acetylamino)-2-deoxy-3-O-(phenylcarbonyl)-6-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-alpha-D-galactopyranoside

Catalog ID
STL526902
SMILES CC(=O)OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H]([C@H]([C@H]2O)OC(=O)c2ccccc2)NC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C36H44N2O15 MW 744.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O15/c1-19(39)37-28-32(53-34(45)25-14-10-7-11-15-25)30(44)26(51-35(28)47-16-24-12-8-6-9-13-24)17-48-36-29(38-20(2)40)33(50-23(5)43)31(49-22(4)42)27(52-36)18-46-21(3)41/h6-15,26-33,35-36,44H,16-18H2,1-5H3,(H,37,39)(H,38,40)/t26-,27-,28-,29-
InChIKey
FXOSSOFHLQKKSA-VLEVWNCOSA-N
Synonyms
449796-66-1
((2~(R)3~(R)4~(R)5~(R)6~(S))5acetamido2(((2~(R)3~(R)4~(R)5~(S)6~(R))3acetamido45diacetyloxy6(acetyloxymethyl)oxan2yl)oxymethyl)3hydroxy6phenylmethoxyoxan4yl)benzoate
(2R3S4R5R6R)5acetamido6(((2R3R4R5R6S)5acetamido4(benzoyloxy)6(benzyloxy)3hydroxytetrahydro2Hpyran2yl)methoxy)2(acetoxymethyl)tetrahydro2Hpyran34diyldiacetate
16397469
449796661
benzyl2(acetylamino)2deoxy3O(phenylcarbonyl)6O(346triOacetyl2(acetylamino)2deoxybetaDglucopyranosyl)alphaDgalactopyranoside
CC(=O)OC(C@H)1O(C@@H)(OC(C@H)2O(C@H)(OCc3ccccc3)(C@@H)((C@H)((C@H)2O)OC(=O)c2ccccc2)NC(=O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC36H44N2O15c119(39)372832(5334(45)2514107111525)30(44)26(5135(28)471624128691324)17483629(3820(2)40)33(5023(5)43)31(4922(4)42)27(5236)184621(3)41h6152633353644H1618H215H3(H3739)(H3840)t2627282930+31323335+36m1s1
MFCD03006095
ZINC000085893394
ZINC85893394

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Available files

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