Account S-(13-Oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl) 2-(diphenylphosphino)benzothioate
- Catalog No. :
- ACVBKX716
- CAS No. :
- 1244028-50-9
- Molecular Formula :
- C37H46N3O6PS2
- Molecular Weight :
- 723.90
IUPAC Name:S-(13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl) 2-(diphenylphosphaneyl)benzothioate
![S-(13-Oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl) 2-(diphenylphosphino)benzothioate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | S-(13-Oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl) 2-(diphenylphosphino)benzothioate |
|---|---|
| IUPAC Name | S-(13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl) 2-(diphenylphosphaneyl)benzothioate |
| Molecular Formula | C37H46N3O6PS2 |
| Molecular Weight | 723.90 |
| SMILES | P(C1=C(C(SCCOCCOCCOCCNC(CCCC[C@H]2[C@@]3([C@](CS2)(NC(=O)N3)[H])[H])=O)=O)C=CC=C1)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChI Key | LVHLJGNQTWWHMJ-YXSDWHQUSA-N |
| Synonym | Benzenecarbothioic acid, 2-(diphenylphosphino)-, S-[17-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-13-oxo-3,6,9-trioxa-12-azaheptadec-1-yl] ester;S-[17-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-13-oxo-3,6,9-trioxa-12-azaheptadec-1-yl] 2-(diphenylphosphino)benzenecarbothioate;Biotin-PEG3-SCO-PPh3;S-(13-Oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl) 2-(diphenylphosphino)benzothioate |
| CAS No. | 1244028-50-9 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACVBKX716 Molecular Building Block Synthetic Route
Methyl 2-(diphenylphosphanyl)-4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)benzoate
Methyl 2-(diphenylphosphaneyl)-4-((15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)carbamoyl)benzoate
Biotin-PEG3-aldehyde