8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl pyridine-4-carboxylate
Basic information
- CAS
6962-20-5- Standard SMILES
COc1cc(C2c3cc4c(c(OC(=O)c5ccncc5)c3CC3COC(=O)C32)OCO4)cc(OC)c1OC- InChIKey
GEXXGRBHAHTXHD-UHFFFAOYSA-N- Molecular formula
- C28H25NO9
- Average molar mass
- 519.5 g/mol
- Monoisotopic mass
- 519.15293138
Names & identifiers
- Preferred name
- 8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl pyridine-4-carboxylate
- IUPAC
- [8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-4-yl] pyridine-4-carboxylate
Names & synonyms
6962-20-58-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl pyridine-4-carboxylateNSC35734DTXSID70284113NSC-357348-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl pyridine-4-carboxylate
Database identifiers
- CAS
6962-20-5- PubChem CID
- 234902
- DTXSID
DTXSID70284113
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 851
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Compound notes
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