AC1L6VAT
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Also Known As: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid|2-Acetamido-3,4,6-tri-O-acetyl-N-{N-[(benzyloxy)carbonyl]-alpha-aspartyl}-2-deoxyhexopyranosylamine
CAS: 38877-35-9
| Molecular Formula | C26H33N3O13 |
|---|---|
| Molecular Weight | 595.20135 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 595.20135 |
| Monoisotopic Mass | 595.20135 |
| Heavy Atoms | 42 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 38877-35-9 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | FQWJKIRQHJKUHA-UHFFFAOYSA-N |
Product Overview
AC1L6VAT (CAS 38877-35-9), with molecular formula C26H33N3O13 and molecular weight 595.20135 g/mol. IUPAC: 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic 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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