AG000D89

116783-35-8 | L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-

AG000D89

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CAS Number	116783-35-8
Catalog Number	AG000D89(AGN-PC-0P9JZM)
Chemical Name	L-Threonine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl]-
IUPAC Name	(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C33H38N2O13/c1-16(27(31(40)41)35-33(42)44-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)45-32-28(34-17(2)36)30(47-20(5)39)29(46-19(4)38)26(48-32)15-43-18(3)37/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,36)(H,35,42)(H,40,41)/t16-,26-,27+,28-,29+,30-,32+/m1/s1
InChI Key	OXLCJWGAUPPZQJ-ZNHCDWFHSA-N
MDL Number	MFCD00171374
Molecular Formula	C33H38N2O13
Molecular Weight	670.6604
SMILES	C[C@@H](O[C@@H]1[C@H](NC(C)=O)[C@H]([C@H]([C@@H](COC(C)=O)O1)OC(C)=O)OC(C)=O)[C@@H](C(O)=O)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Synonyms	116783-35-8, Fmoc-Thr(GalNAc(Ac)--D)-OH, Fmoc-Thr[GalNAc(Ac)3-|A-D]-OH, 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-galactopyranosyl-Fmoc threonine, N--Fmoc-O--(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl--D-galactopyranosyl)-L-threonine, N-alpha-(fluoren-9-ylmethoxycarbonyl)-O-(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-alpha-D-galactopyranosyl)-L-threonine, Fmoc-L-Thr(|A-D-GalNAc(Ac)3)-OH, FMOC-THR(GALNAC(AC)3-ALPHA-D)-OH, SCHEMBL1737712, Fmoc-Thr-(Ac3AcNH-|A-Gal)-OH, HY-P0232, MFCD00171374, ZINC77292789, AKOS030530581, CS-6902, Fmoc-Thr[GalNAc(Ac)3-alpha-D]-OH, 97%, FT-0642849, 783F358, W-200901, Fmoc-O-[2-(Acetylamino)-3-O,4-O,6-O-triacetyl-2-deoxy-alpha-D-galactopyranosyl]-L-Thr-OH, Fmoc-Thr(2-acetamido-3,4,6,-tri-O-acetyl-2-deoxy-|A-D-galactopyranosyl)-OH, N-Fmoc-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-|A-D-galactopyranosyl]-L-threonine, (2S,3R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-((2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yloxy)butanoic acid, N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-|A-D-galactopyranosyl]-L-threonine, N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-(2-acetamido-2deoxy-3,4,6-tri-O-acetyl-alpha-D-galactopyranosyl)-L-threonine, N-alpha-(9-Fluoroenyloxycarbonyl)-o-(2-acetamido-2deoxy-3,4,6-tri-o-acetyl-alpha-d-galactopyranosyl)-l-threonine, N-alpha-(9-Fluoroenyloxycarbonyl)-o-(2-acetamido-2deoxy-3,4,6tri-o-acetyl-alpha-d-galactopyranosyl)-l-threonine, Fmoc-Thr(GalNAc(Ac)3-a-D)-OH, CID11050650, Fmoc-Thr[GalNAc(Ac)3-(alpha)-D]-OH, CID 11050650,

Complexity	1170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	670.237g/mol
Formal Charge	0
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	670.668g/mol
Monoisotopic Mass	670.237g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	202A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number