4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, hexahydro-2-oxo-6-(phenylthio)-4-[(1R,2R)-1,2,3-trihydroxypropyl]-, methyl ester, (3aR,4R,6R,7aS)-
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![4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, hexahydro-2-oxo-6-(phenylthio)-4-[(1R,2R)-1,2,3-trihydroxypropyl]-, methyl ester, (3aR,4R,6R,7aS)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4400956439d54972b3540b3553992e2d.png "4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, hexahydro-2-oxo-6-(phenylthio)-4-[(1R,2R)-1,2,3-trihydroxypropyl]-, methyl ester, (3aR,4R,6R,7aS)-")
4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, hexahydro-2-oxo-6-(phenylthio)-4-[(1R,2R)-1,2,3-trihydroxypropyl]-, methyl ester, (3aR,4R,6R,7aS)-
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CAS No:
934591-79-4
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Formula:
C17H21NO8S
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Chemical Name:
4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, hexahydro-2-oxo-6-(phenylthio)-4-[(1R,2R)-1,2,3-trihydroxypropyl]-, methyl ester, (3aR,4R,6R,7aS)-
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Synonyms:
Methyl 5-N,4-O-Carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-beta-D-galacto-2-nonulopyranosylonate;
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CAS No:
4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, hexahydro-2-oxo-6-(phenylthio)-4-[(1R,2R)-1,2,3-trihydroxypropyl]-, methyl ester, (3aR,4R,6R,7aS)- Basic Attributes
399.41600
399.09878780
Computed Properties
Molecular Weight:399.4
XLogP3:0.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:399.09878780
Monoisotopic Mass:399.09878780
Topological Polar Surface Area:160
Heavy Atom Count:27
Complexity:557
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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