AG001LR6

14948-96-0 | 4-Nitrophenyl 2-acetamido-2-deoxy-beta-d-galactopyranoside

AG001LR6

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CAS Number	14948-96-0
Catalog Number	AG001LR6(AGN-PC-0Q3DDD)
Chemical Name	4-Nitrophenyl 2-acetamido-2-deoxy-beta-d-galactopyranoside
EC Number	239-024-3
IUPAC Name	N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide
InChI	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14-/m1/s1
InChI Key	OMRLTNCLYHKQCK-RKQHYHRCSA-N
MDL Number	MFCD00067360
Molecular Formula	C14H18N2O8
Molecular Weight	342.3013
SMILES	CC(N[C@H]1[C@H](OC2=CC=C([N+]([O-])=O)C=C2)O[C@H](CO)[C@H](O)[C@@H]1O)=O
Synonyms	4-nitrophenyl-2-acetamido-2-deoxygalactopyranoside, 4-nitrophenyl-2-acetamido-2-deoxygalactopyranoside, (alpha)-isomer, 4-nitrophenyl-N-acetyl-beta-D-galactosaminide, 4-nitrophenyl-N-acetylamino-beta-galactose, para-nitrophenyl-N-acetyl-beta-D-galactosaminide, PNP-GalNAc, pNPGalNAc, 14948-96-0, 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-galactopyranoside, N-((2S,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydro-2H-pyran-3-yl)acetamide, 4-nitrophenyl-n-acetyl-beta-d-galactosaminide, 4-Nitrophenyl 2-acetamido-2-deoxy-b-D-galactopyranoside, C14H18N2O8, 4-nitrophenyl N-acetyl-beta-D-galactosaminide, p-Nitrophenyl 2-acetamido-2-deoxy-beta-D-galactopyranoside, GalNAc-beta-PNP, EINECS 239-024-3, GalNAc1-|A-PNP, 4-nitrophenyl 2-acetamido-2-deoxy-|A-d-galactopyranoside, p-Nitrophenyl 2-Acetamido-2-deoxy-|A-D-galactopyranoside, 4-Nitrophenyl-2-acetamido-2-deoxygalactopyranoside, SCHEMBL419344, AC1L382A, CHEBI:38406, BIM1204, ZX-AFC000261, N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide, ZINC4282188, p-nitrophenyl-n-acetylgalactosaminide, MFCD00067360, AKOS024464988, p-Nitrophenyl-|A-N-acetylgalactosaminide, AK163714, AS-11169, AX8099575, p-Nitrophenyl |A-D-N-Acetylgalactosaminide, FT-0619284, p-Nitrophenyl N-acetyl-|A-D-galactosaminide, p-Nitrophenyl-N-acetyl-|A-D-galactosaminide, ST24048233, W0316, K-4752, (4-Nitrophenyl)-N-acetyl-|A-D-galactosaminide, 98%, 4-Nitrophenyl N-acetyl-beta-D-galactosaminide, >=98%, b-D-Galactopyranoside,4-nitrophenyl 2-(acetylamino)-2-deoxy-, 4-Nitrophenyl-N-acetyl-beta-D-galactosaminide, 4-Nitrophenyl-N-acetyl-beta-D-galactosamine, N9003_SIGMA, OMRLTNCLYHKQCK-RKQHYHRCSA-N, CID84723, C14-H18-N2-O8, CB12058, 4-Nitrophenyl N-acetyl-|A-D-galactosaminide,

Complexity	449
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	342.106g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	342.304g/mol
Monoisotopic Mass	342.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	154A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

Lot Number