(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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![(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ffb2769e4e8f4bab93f3a809f6da42f6.png "(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid")
(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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CAS No:
26112-88-9
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Formula:
C17H22N2O11
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Chemical Name:
(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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Synonyms:
1-NPANA;2-O-(4-nitrophenyl)-N-acetylneuraminic acid;4-nitrophenyl-5-acetamido-3,5-dideoxy-alpha-D-glycero-D-galacto-2-nonulopyranosidonic acid;NP-NAN;p-nitrophenyl N-acetyl-alpha-D-neuraminide;p-nitrophenyl N-acetyl-alpha-neuraminide;26112-88-9;2-O-(4-Nitrophenyl)-N-acetylneuraminic acid;1-Npana;NP-Nan;2-O-(p-Nitrophenyl)-alpha-D-N-acetylneuraminic acid;2-O-(4-Nitrophenyl)-a-D-N-acetylneuraminic acid;p-Nitrophenyl N-acetyl-alpha-neuraminide;p-Nitrophenyl N-acetyl-alpha-D-neuraminide;4-Nitrophenyl-5-acetamido-3,5-dideoxy-alpha-D-glycero-D-galacto-2-nonulopyranosidonic acid;D-glycero-alpha-D-galacto-2-Nonulopyranosidonic acid, 4-nitrophenyl 5-(acetylamino)-3,5-dideoxy-;ZINC32303435;(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;2-O-(4-Nitrophenyl)-N-acetyl-alpha-neuraminic acid;alpha-Neuraminic acid, N-acetyl-2-O-(4-nitrophenyl)-;2-O-(P-NITROPHENYL)-ALPHA-D-N-ACETYLNEURAMINICACID;(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
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CAS No:
(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Basic Attributes
430.4 g/mol
430.12235952 g/mol
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:430.4
XLogP3:-1.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:430.12235952
Monoisotopic Mass:430.12235952
Topological Polar Surface Area:212
Heavy Atom Count:30
Complexity:634
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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