Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate
methyl 3,4,5-trihydroxycyclohexene-1-carboxylate
Also Known As: Methyl Shikimate|Methyl(-)-shikimate|Methyl (-)-Shikimate|methyl 3,4,5-trihydroxycyclohexene-1-carboxylate|methyl (R)-3-hydroxypentanoate|AS-0235|METHYL 3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLATE|methyl 3,4,5-trihydroxycyclohex-1-enecarboxylate|Methyl (3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexenecarboxylate
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.06847 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06847 |
| Monoisotopic Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 40983-58-2 |
|---|---|
| SMILES | COC(=O)C1=CC(C(C(C1)O)O)O |
| InChIKey | LSNUUAUXWJZSFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate (CAS 40983-58-2), with molecular formula C8H12O5 and molecular weight 188.06847 g/mol. IUPAC: methyl 3,4,5-trihydroxycyclohexene-1-carboxylate.
Methyl 3,4,5-trihydroxycyclohexene-1-carboxylate is a custom synthesis product. We offer services from milligram to kilogram scale.
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