(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide

Catalog No. :: ACODHC951
CAS No. :: 6379-56-2
Molecular Formula :: C23H29NO12
Molecular Weight :: 511.48

IUPAC Name:(E)-3-(4-(((2S,3S,4S,5S)-5-acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide

(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide structure diagram

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Product Information

Product Name	(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide
IUPAC Name	(E)-3-(4-(((2S,3S,4S,5S)-5-acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide
Molecular Formula	C23H29NO12
Molecular Weight	511.48
SMILES	O[C@H]1[C@]2([C@@]([C@H](O)[C@@H](O)[C@H]1NC(/C(=C/C3=CC(O)=C(O[C@@H]4O[C@H](C(C)=O)[C@@H](O)[C@@H]4O)C=C3)/C)=O)(OCO2)[H])[H]
InChI Key	YQYJSBFKSSDGFO-IIHALWDASA-N
Synonym	hygromycin A;5-Deoxy-5-[[(2E)-3-[4-[(6-deoxy-β-D-arabino-5-hexosulofuranosyl)oxy]-3-hydroxyphenyl]-2-methyl-1-oxo-2-propenyl]amino]-1-O,2-O-methylene-D-neo-inositol;Antibiotic WS-1627B;Homomycin;Hygromycin;D-neo-Inositol, 5-deoxy-5-[[(2E)-3-[4-[(6-deoxy-β-D-arabino-hexofuranos-5-ulos-1-yl)oxy]-3-hydroxyphenyl]-2-methyl-1-oxo-2-propen-1-yl]amino]-1,2-O-methylene-;Homomycin A;(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5S)-5-acetyl-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide
CAS No.	6379-56-2

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H317-H334
Precautionary Statement(s): P261-P272-P280-P284-P302+P352-P304+P340-P333+P313-P342+P311-P362+P364-P501

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(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide

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1. ACODHC951 Molecular Building Block Synthetic Route

2. ACODHC951 Molecular Building Block Synthetic Route

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(E)-3-(4-(((2S,3S,4S,5S)-5-Acetyl-3,4-dihydroxytetrahydrofuran-2-yl)oxy)-3-hydroxyphenyl)-2-methyl-N-((3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxyhexahydrobenzo[d][1,3]dioxol-5-yl)acrylamide

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Safety Data

Synthetic Route by SureRoute

(2S,3S,4S,5R,6S)-6-(4-((E)-2-Carboxyvinyl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-(4-(2-Carboxyvinyl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-(5-(2-carboxyvinyl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-(5-((E)-2-Carboxyvinyl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

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