Account 2-[(2-Hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside
- Catalog No. :
- ACKKBI442
- CAS No. :
- 2520-21-0
- Molecular Formula :
- C24H36N2O9S
- Molecular Weight :
- 528.62
IUPAC Name:2-((3,4,5-trihydroxy-6-(2-methoxy-1-(1-methylpyrrolidine-2-carboxamido)propyl)tetrahydro-2H-pyran-2-yl)thio)ethyl 2-hydroxybenzoate
![2-[(2-Hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-[(2-Hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside |
|---|---|
| IUPAC Name | 2-((3,4,5-trihydroxy-6-(2-methoxy-1-(1-methylpyrrolidine-2-carboxamido)propyl)tetrahydro-2H-pyran-2-yl)thio)ethyl 2-hydroxybenzoate |
| Molecular Formula | C24H36N2O9S |
| Molecular Weight | 528.62 |
| SMILES | O=C(OCCSC1C(O)C(O)C(O)C(C(NC(C2N(C)CCC2)=O)C(OC)C)O1)C3=CC=CC=C3O |
| InChI Key | VMSQKUCYEMOKMM-UHFFFAOYSA-N |
| Synonym | celesticetin;2-[(2-Hydroxybenzoyl)oxy]ethyl 7-O-methyl-6-[[(2S)-1-methyl-2-pyrrolidinyl]carbonylamino]-6,8-dideoxy-1-thio-α-D-erythro-D-galacto-octopyranoside;U-5524;D-erythro-α-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-;Celesticetin A |
| CAS No. | 2520-21-0 |
Synthetic Route by SureRoute
2. ACKKBI442 Molecular Building Block Synthetic Route
(2S,4R)-N-((1R,2R)-2-Hydroxy-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide
(2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride
(2S,4R)-N-((1R,2R)-2-Hydroxy-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride hydrate