Basic information
- Standard SMILES
COC1C(OC(=O)NCCCOC(=O)Oc2ccc([N+](=O)[O-])cc2)CCC2(CO2)C1C1(C)OC1CC=C(C)C- InChIKey
IWQJKZUMZVBZQK-UHFFFAOYSA-N- Molecular formula
- C27H36N2O10
- Average molar mass
- 548.6 g/mol
Names & identifiers
- Preferred name
- 5-Methoxy-4-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-6-(4-nitrophenoxycarbonyloxypropylcarbamoyloxy)-1-oxaspiro[2,5]octane
- IUPAC
- 3-[[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonylamino]propyl (4-nitrophenyl) carbonate
Names & synonyms
SCHEMBL9215402IWQJKZUMZVBZQK-UHFFFAOYSA-N5-methoxy-4-[2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-6-(4-nitrophenoxycarbonyloxypropylcarbamoyloxy)-1-oxaspiro[2,5]octane
Database identifiers
- PubChem CID
- 21620173
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 926
Related reactions
2 records
Compound notes
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