Account (1S,2R)-1-((3aR,4R,6R,7aS)-3-Acetyl-6-(adamantan-1-ylthio)-6-(methoxycarbonyl)-2-oxohexahydro-2H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate
- Catalog No. :
- ACODPT729
- CAS No. :
- 956107-32-7
- Molecular Formula :
- C29H39NO12S
- Molecular Weight :
- 625.69
IUPAC Name:(1S,2R)-1-((3aR,4R,6R,7aS)-3-acetyl-6-(adamantan-1-ylthio)-6-(methoxycarbonyl)-2-oxohexahydro-4H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate
![(1S,2R)-1-((3aR,4R,6R,7aS)-3-Acetyl-6-(adamantan-1-ylthio)-6-(methoxycarbonyl)-2-oxohexahydro-2H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,2R)-1-((3aR,4R,6R,7aS)-3-Acetyl-6-(adamantan-1-ylthio)-6-(methoxycarbonyl)-2-oxohexahydro-2H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate |
|---|---|
| IUPAC Name | (1S,2R)-1-((3aR,4R,6R,7aS)-3-acetyl-6-(adamantan-1-ylthio)-6-(methoxycarbonyl)-2-oxohexahydro-4H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate |
| MDL No. | MFCD31814461 |
| Molecular Formula | C29H39NO12S |
| Molecular Weight | 625.69 |
| SMILES | O=C([C@]1(SC2(C3)CC4CC3CC(C4)C2)C[C@@]5([H])[C@@]([C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)COC(C)=O)O1)([H])N(C(C)=O)C(O5)=O)OC |
| InChI Key | CBVNXKNGWZDTIK-VHOHUEAASA-N |
| Synonym | Methyl (1-Adamantanyl 5-acetamido-7,8,9-tri-O-acetyl-5-N,4- O-carbonyl-3,5-dideoxy-2-thio-D-glycero-a-D-galacto-non-2-ulopyranoside) onate;Methyl (1-Adamantanyl 5-acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-D-glycero-alpha-D-galacto-non-2-ulopyranoside)onate;5-Acetamido-7,8,9-tri-O-acetyl-5-N,4- O-carbonyl-2-S-adamantanyl-2-thio-α-neuraminic Acid Methyl Ester;Methyl (1-Adamantanyl 5-acetamido-7,8,9-tri-O-acetyl-5-N,4- O-carbonyl-3,5-dideoxy-2-thio-D-glycero-?-D-galacto-non-2-ulopyranoside) onate;4H-Pyrano[3,4-d]oxazole-6-carboxylic acid, 3-acetylhexahydro-2-oxo-6-(tricyclo[3.3.1.13,7]dec-1-ylthio)-4-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-, methyl ester, (3aR,4R,6R,7aS)-;5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-2-S-adamantanyl-2-thio-α-neuraminic Acid Methyl Ester;5-Acetamido-7,8,9-tri-O-acetyl-5-N,4- O-carbonyl-2-S-adamantanyl-2-thio-β-neuraminic Acid Methyl Ester |
| CAS No. | 956107-32-7 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACODPT729 Molecular Building Block Synthetic Route
(1S,2R)-1-((2R,3R,4S,6S)-3-Acetamido-4-acetoxy-6-(methoxycarbonyl)-6-(methylthio)tetrahydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate
(1S,2R)-1-((3aR,4R,6R,7aS)-3-Acetyl-6-(methoxycarbonyl)-2-oxo-6-(phenylthio)hexahydro-4H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate
(1S,2R)-1-((3AR,4R,6R,7aS)-6-(methoxycarbonyl)-2-oxo-6-(phenylthio)hexahydro-4H-pyrano[3,4-d]oxazol-4-yl)propane-1,2,3-triyl triacetate