AG000GWC

1158-17-4 | β-D-Galactopyranoside, 2-nitrophenyl 1-thio-

AG000GWC

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CAS Number	1158-17-4
Catalog Number	AG000GWC(AGN-PC-0P86AV)
Chemical Name	β-D-Galactopyranoside, 2-nitrophenyl 1-thio-
EC Number	214-593-0
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol
InChI	InChI=1S/C12H15NO7S/c14-5-7-9(15)10(16)11(17)12(20-7)21-8-4-2-1-3-6(8)13(18)19/h1-4,7,9-12,14-17H,5H2/t7-,9+,10+,11-,12+/m1/s1
InChI Key	SZAOZNVCHHBUDZ-RUXWNWLUSA-N
MDL Number	MFCD00076099
Molecular Formula	C12H15NO7S
Molecular Weight	317.3150
SMILES	OC[C@H]1O[C@@H](Sc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Synonyms	o-nitrophenol beta-thiogalactoside, 1158-17-4, 2-NITROPHENYL-BETA-D-THIOGALACTOPYRANOSIDE, 2-Nitrophenyl 1-thio-beta-D-galactopyranoside, o-Nitrophenol beta-thiogalactoside, (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-((2-nitrophenyl)thio)tetrahydro-2H-pyran-3,4,5-triol, 2-Nitrophenyl b-D-thiogalactopyranoside, (2r,3r,4s,5r,6s)-2-(Hydroxymethyl)-6-(2-Nitrophenyl)sulfanyl-Oxane-3,4,5-Triol, 2-Nitrophenyl beta-D-thiogalactopyranoside, 4ozo, EINECS 214-593-0, PubChem9891, 2-Nitrophenyl-1-thio-beta-D-galactopyranoside, beta-D-Galactopyranoside, 2-nitrophenyl 1-thio-, o-NITROPHENYL-1-THIO-beta-D-GALACTOPYRANOSIDE, o-Nitrophenyl 1-thio-beta-D-galactopyranoside, AC1L2RX8, SCHEMBL1704467, ZX-AFC003220, ZINC4261921, MFCD00076099, AKOS024307402, 2-Nitrophenyl |A-D-thiogalactopyranoside, AN-48742, o-Nitrophenyl-1-thio-b-D-galactopyranoside, 2-Nitrophenyl 1-thio-|A-D-galactopyranoside, b-D-Galactopyranoside,2-nitrophenyl 1-thio-, FT-0613203, ST50319366, W0166, 2-Nitrophenyl-1-thio-I(2)-D-galactopyranoside, A-8481, 158N174, 2-Nitrophenyl 1-thio-beta-D-galactopyranoside, for detection of lac mutants, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol, (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenylthio)tetrahydro-2H-pyran-3,4,5-triol, (2S,4S,3R,5R,6R)-6-(hydroxymethyl)-2-(2-nitrophenylthio)-2H-3,4,5,6-tetrahydro pyran-3,4,5-triol, OTN, o-nitrophenyl 1-thio-beta, C12H15NO7S, C12-H15-N-O7-S, AR-1L8654, CID101992, CB10995, |A-d-galactopyranoside, 2-nitrophenyl 1-thio-, 117617-70-6,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	317.057g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	317.312g/mol
Monoisotopic Mass	317.057g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	161A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number