Methyl(Phenyl5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate
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Methyl(Phenyl5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate
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CAS No:
934591-76-1
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Formula:
C25H29NO12S
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Chemical Name:
Methyl(Phenyl5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate
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Synonyms:
Methyl (Phenyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate;Methyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosylonate;Methyl 5-AcetaMido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-β-D-glycero-D-galacto-2-nonulopyranosylonate;Methyl 5-AcetaMido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-beta-D-galacto-2-nonulopyranosylonate;(3aR,4R,6R,7aS)-3-Acetylhexahydro-2-oxo-6-(phenylthio)-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-4H-pyrano[3,4-d]oxazole-6-carboxylic acid methyl ester;Methyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-β5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-2-S-phenyl-2-thio-α-?neuraminic Acid Methyl Este;Methyl5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-S-phenyl-2-thio-D-glycero-β-D-galacto-2-nonulopyranosylonate>
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CAS No:
Methyl(Phenyl5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate Basic Attributes
567.56
567.14104653
DTXSID90743979
Characteristics
186.34000
1.53720
1.40±0.1 g/cm3
150.0 to 154.0 °C
658.0±55.0 °C(Predicted)
-4.18±0.60
Computed Properties
Molecular Weight:567.6
XLogP3:1.7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:567.14104653
Monoisotopic Mass:567.14104653
Topological Polar Surface Area:186
Heavy Atom Count:39
Complexity:982
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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