AG0010QF

132489-69-1 | D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-[[(phenylamino)carbonyl]oxy]-, δ-lactone, (1Z)-

AG0010QF

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CAS Number	132489-69-1
Catalog Number	AG0010QF(AGN-PC-0PJQAU)
Chemical Name	D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-[[(phenylamino)carbonyl]oxy]-, δ-lactone, (1Z)-
IUPAC Name	[(Z)-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
InChI	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12-,13-/m1/s1
InChI Key	PBLNJFVQMUMOJY-JXZOILRNSA-N
MDL Number	MFCD00145022
Molecular Formula	C15H17N3O9
Molecular Weight	383.3102
SMILES	O/C([C@@H]1NC(C(O[C@H](CO)[C@@H](O)[C@@H]1O)=O)=O)=NOC(NC2=CC=CC=C2)=O
Synonyms	N-acetylglucosaminono-1,5-lactone O-(phenylcarbamoyl)oxime, NAc-LAPCO, O-(2-acetamido-2-deoxyglucopyranosylidene)amino N-phenylcarbamate, PUGNAC, Pugnac, Nac-lapco, 132489-69-1, (Z)-PugNAc, N-Acetylglucosaminono-1,5-lactone O-(phenylcarbamoyl)oxime, O-(2-Acetamido-2-deoxyglucopyranosylidene)amino N-phenylcarbamate, O-(2-Acetamido-2-deoxy-D-glucopyranosylidene)amino N-phenyl carbamate, (1Z)-2-(Acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-D-gluconimidic acid delta-lactone, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, D-Gluconimidic acid, 2-(acetylamino)-2-deoxy-N-(((phenylamino)carbonyl)oxy)-, delta-lactone, (1Z)-, 2cbj, 2oxn, 2vcb, 2vvs, 3ozp, 4azb, 4azg, 4azi, 3s6t, 4az6, O-(2-Acetamido-2-deoxy-D-glucopyranosylidene)amino N-Phenylcarbamate, CHEMBL404482, PUGNAc, >=95% (HPLC), ZINC5167377, MFCD00145022, LS-172836, 2-(Acetylamino)-2-deoxy-N-[[(phenylamino)carbonyl]oxy]-D-gluconimidic Acid |A-Lactone, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name), C16H20N2O7, C15-H19-N3-O7, CID9576811, B3691, C068836, O-(2-Acetamido-2-deoxy-D-glucopyranosylidene)aminoN-phenylcarbamate, (1Z)-2-(Acetylamino)-2-deoxy-N-[[(phenylamino)carbonyl]oxy]-D-gluconimidic acid delta-lactone, (5R,6R,7S,8R,Z)-6,7-Dihydroxy-8-(hydroxymethyl)-2,3-dioxo-N-((phenylcarbamoyl)oxy)-1,4-oxazocane-5-carbimidic acid, OAN,

Complexity	507
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	1
Exact Mass	353.122g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	353.331g/mol
Monoisotopic Mass	353.122g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	150A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

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

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