ME 2303
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Basic information
- CAS
116521-53-0- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCCCC(=O)O)C[C@@H]3O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1F- InChIKey
PQMIPLRIRFVQJZ-QBYYVRQOSA-N- Molecular formula
- C34H37FO15
- Average molar mass
- 704.653 g/mol
- Monoisotopic mass
- 704.2116487
Names & identifiers
- Preferred name
- ME 2303
- IUPAC
- 7-(2-{(2S,4S)-4-[(2,6-Dideoxy-2-fluoro-alpha-L-talopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethoxy)-7-oxoheptanoic acid
- English name
- Me 2303
- Molecular formula
- C34H37FO15
- Molecular weight
- 704.65
Names & synonyms
Me 2303FAD-1047-[2-[[(2S,4S)-4α-[(2,6-Dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2α,5,12-trihydroxy-7-methoxy-6,11-dioxonaphthacen]-2-yl]-2-oxoethoxy]-7-oxoheptanoic acidHeptanedioic acid hydrogen 1-[[[(2S)-[4α-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2α,5,12-trihydroxy-7-methoxy-6,11-dioxonaphthacen]-2-yl]carbonyl]methyl] esterHeptanedioic acid 1-hydrogen 7-[2-[[(2S,4S)-4-[(2,6-dideoxy-2-fluoro-α-L-talopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxonaphthacen]-2-yl]-2-oxoethyl] ester
Database identifiers
- CAS
116521-53-0- PubChem CID
- 115362
- DTXSID
DTXSID70151417- UNII
- BD89KYN03D
- Nikkaji
- J354.432J
Properties
Physicochemical properties
- Melting point
- 108 · 108-113 °C
- Boiling point
- 914.048 · 914.048±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.575 · 1.575±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.738 · 4.738±0.10(predicted)
- FDA UNII
- 89 KYN03D · BD89KYN03D
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Compound notes
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