AC1MBTVU
[(2R)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate
Also Known As: H-D-Asp(OBzl)-OBzlosOH|H-D-Asp(OBzl)-OBzl.TosOH|CH-314|IUPAC: 1,2-bis(phenylmethoxycarbonyl)ethylazanium; 4-methylbenzenesulfonate|[(2R)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium; 4-methylbenzenesulfonate|[(2R)-1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate
CAS: 4079-64-5
| Molecular Formula | C25H27NO7S |
|---|---|
| Molecular Weight | 485.15082 g/mol |
| LogP | 2.37292 |
| Topological Polar Surface Area | 137.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.15082 |
| Monoisotopic Mass | 485.15082 |
| Heavy Atoms | 34 |
| Complexity | 1148.8882 |
Chemical Identifiers
| CAS Number | 4079-64-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)C[C@H](C(=O)OCC2=CC=CC=C2)[NH3+] |
Product Overview
AC1MBTVU (CAS 4079-64-5), with molecular formula C25H27NO7S and molecular weight 485.15082 g/mol. IUPAC: [(2R)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate.
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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