Account Antithrombin III
- Catalog No. :
- ACPUXH592
- CAS No. :
- 114870-00-7
- Molecular Formula :
- C93H105N7O32
- Molecular Weight :
- 1832.88
IUPAC Name:methyl (2R,3S,4S,5R,6R)-5-acetoxy-3-(((2R,3R,4R,6R)-4-acetoxy-6-(acetoxymethyl)-5-(((2R,3R,4S,5S,6S)-5-(((2R,3R,4R,5S,6R)-6-(acetoxymethyl)-3-azido-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-bis(benzyloxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-3-azidotetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3S,4R,5R,6S)-2-(acetoxymethyl)-4-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-4-(benzyloxy)tetrahydro-2H-pyran-2-carboxylate
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Product Information
| Product Name | Antithrombin III |
|---|---|
| IUPAC Name | methyl (2R,3S,4S,5R,6R)-5-acetoxy-3-(((2R,3R,4R,6R)-4-acetoxy-6-(acetoxymethyl)-5-(((2R,3R,4S,5S,6S)-5-(((2R,3R,4R,5S,6R)-6-(acetoxymethyl)-3-azido-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-bis(benzyloxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-3-azidotetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3S,4R,5R,6S)-2-(acetoxymethyl)-4-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-4-(benzyloxy)tetrahydro-2H-pyran-2-carboxylate |
| Molecular Formula | C93H105N7O32 |
| Molecular Weight | 1832.88 |
| SMILES | O=C([C@H]1[C@@H](O[C@@H]2[C@H](N=[N+]=[N-])[C@@H](OC(C)=O)C(O[C@H]3[C@H](OCC4=CC=CC=C4)[C@@H](OCC5=CC=CC=C5)[C@H](O[C@@H]6[C@H](N=[N+]=[N-])[C@@H](OCC7=CC=CC=C7)[C@H](OCC8=CC=CC=C8)[C@@H](COC(C)=O)O6)[C@@H](C(OC)=O)O3)[C@@H](COC(C)=O)O2)[C@H](OCC9=CC=CC=C9)[C@@H](OC(C)=O)[C@H](O[C@@H]%10[C@@H](COC(C)=O)O[C@H](OC)[C@H](NC(OCC%11=CC=CC=C%11)=O)[C@H]%10OCC%12=CC=CC=C%12)O1)OC |
| InChI Key | PFDFPNGQXCHQOJ-BFXJOYRKSA-N |
| Synonym | Fondaparinux intermediate;Methyl O-(6-O-acetyl-2-azido-3,4-di-O-benzyl-2-deoxy-alpha-D-glucopyranosyl)-(1->4)-O-(methyl 2,3-di-O-benzyl-beta-D-glucopyranosyluronate)-(1->4)-O;Methyl O-(6-O-acetyl-2-azido-3,4-di-O-benzyl-2-deoxy-alpha-D-glucopyranosyl)-(1->4)-O-(methyl 2,3-di-O-benzyl-beta-D-glucopyranosyluronate)-(1->4)-O-(3,6-di-O-acetyl-2-azido-2-deoxy-alpha-D-glucopyranosyl)-(1->4)-O-(methyl 2-O-acetyl-3-O-benzyl-alpha-L-id |
| CAS No. | 114870-00-7 |
Synthetic Route by SureRoute
2. ACPUXH592 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-3-(((2R,3R,4R,5S,6R)-3-Azido-4,5-bis(benzyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-(((2R,3S,4R,5R,6R)-5-azido-6-(((2R,3S,4R,5R,6R)-4-(benzyloxy)-6-(((2R,3S,4R,5R,6S)-4-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-2-(hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-2-carboxy-5-hydroxytetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-carboxylic acid
Methyl (2S,3S,4S,5R,6R)-6-(((2R,3S,4R,5R,6R)-4-acetoxy-2-(acetoxymethyl)-6-(((2R,3S,4S,5R,6R)-6-(((2R,3S,4R,5R,6S)-2-(acetoxymethyl)-4-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-5-(benzoyloxy)-4-(benzyloxy)-2-(methoxycarbonyl)tetrahydro-2H-pyran-3-yl)oxy)-5-azidotetrahydro-2H-pyran-3-yl)oxy)-3-(((2R,3R,4R,5S,6R)-6-(acetoxymethyl)-3-azido-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-bis(benzyloxy)tetrahydro-2H-pyran-2-carboxylate
Methyl (2R,3S,4S,5R,6R)-5-acetoxy-6-(((2R,3S,4R,5R,6S)-2-(acetoxymethyl)-4-(benzyloxy)-5-(((benzyloxy)carbonyl)amino)-6-methoxytetrahydro-2H-pyran-3-yl)oxy)-4-(benzyloxy)-3-hydroxytetrahydro-2H-pyran-2-carboxylate