AG001RNW

160067-63-0 | L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-

AG001RNW

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CAS Number	160067-63-0
Catalog Number	AG001RNW(AGN-PC-0Q7TI5)
Chemical Name	L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-
IUPAC Name	(2S)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C32H36N2O13/c1-16(35)33-27-29(46-19(4)38)28(45-18(3)37)26(15-42-17(2)36)47-31(27)43-14-25(30(39)40)34-32(41)44-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-29,31H,13-15H2,1-4H3,(H,33,35)(H,34,41)(H,39,40)/t25-,26+,27+,28+,29+,31+/m0/s1
InChI Key	ORICVOOXZDVFIP-ILRBKQRBSA-N
MDL Number	MFCD02094188
Molecular Formula	C32H36N2O13
Molecular Weight	656.6338
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CO[C@H]4[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O4
Synonyms	160067-63-0, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propanoic acid, 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranosyl-Fmoc serine, AK175633, FmocSer(Ac3-|A-D-GlcNAc)-OH, O-(2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-beta-D-glucopyranosyl)-N-alpha-(fluoren-9-yl-methoxycarbonyl)-L-serine, Fmoc-Ser(beta-D-GlcNAc(Ac)3)-OH, GM5621, ZINC77269654, AKOS027250759, AB10889, O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-ACETYL-B-D-GLUCOPYRANOSYL)-N-A-(FLUOREN-9-YL-METHOXY CARBONYL)-L-SERINE, FT-0661013, W-201452, O-(2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-|A-D-glucopyranosyl)-N-Fmoc-L-serine, (2s)-3-{[(2r,3r,4r,5s,6r)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-, N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-|A-D-glucopyranosyl]-L-serine, O-(2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-|A-D-glucopyranosyl)-N-(fluoren-9-yl-methoxycarbonyl)-L-serine, O-[3-O,4-O,6-O-Triacetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-N-(9H-fluorene-9-ylmethoxycarbonyl)serine, Fmoc-L-Ser(|A-D-GlcNAc(Ac)3)-OH, CID 4522446, CID11114983,

Complexity	1140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	656.222g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	656.641g/mol
Monoisotopic Mass	656.222g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	202A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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