BS56UWT8HM
(1S)-1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid
Also Known As: BMS-188494, (S)-|Propanoic acid, 2,2-dimethyl-, ((4-(3-phenoxyphenyl)-1-sulfobutyl)phosphinylidene)bis(oxymethylene) ester, (S)-|1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic Acid
CAS: 178060-79-2
| Molecular Formula | C28H39O11PS |
|---|---|
| Molecular Weight | 614.19507 g/mol |
| LogP | 6.3354 |
| Topological Polar Surface Area | 151.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 614.19507 |
| Monoisotopic Mass | 614.19507 |
| Heavy Atoms | 41 |
| Complexity | 1276.5388 |
Chemical Identifiers
| CAS Number | 178060-79-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCOP(=O)([C@H](CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)OCOC(=O)C(C)(C)C |
Product Overview
BS56UWT8HM (CAS 178060-79-2), with molecular formula C28H39O11PS and molecular weight 614.19507 g/mol. IUPAC: (1S)-1-[bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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