Methyl 5-(cyanomethyl)-3-[4-(4-methylbenzoyl)oxy-5-[(4-methylbenzoyl)oxymethyl]oxolan-2-yl]imidazole-4-carboxylate
Basic information
- CAS
91713-25-6- Standard SMILES
COC(=O)c1c(CC#N)ncn1C1CC(OC(=O)c2ccc(C)cc2)C(COC(=O)c2ccc(C)cc2)O1- InChIKey
KSYYJMFOFKDMLR-UHFFFAOYSA-N- Molecular formula
- C28H27N3O7
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 517.18490021
Names & identifiers
- Preferred name
- Methyl 5-(cyanomethyl)-3-[4-(4-methylbenzoyl)oxy-5-[(4-methylbenzoyl)oxymethyl]oxolan-2-yl]imidazole-4-carboxylate
- IUPAC
- methyl 5-(cyanomethyl)-3-[4-(4-methylbenzoyl)oxy-5-[(4-methylbenzoyl)oxymethyl]oxolan-2-yl]imidazole-4-carboxylate
Names & synonyms
NSC37038691713-25-6DTXSID80321109NSC-370386Methyl 4-(cyanomethyl)-1-[2-deoxy-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-1H-imidazole-5-carboxylate
Database identifiers
- CAS
91713-25-6- PubChem CID
- 340232
- DTXSID
DTXSID80321109
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 888
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Compound notes
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