Basic information
- CAS
129785-04-2- Standard SMILES
Cn1nnnc1C(/C=C/[C@H](O)C[C@H](O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
HPFIYXJJZZWEPC-MIMFYIINSA-N- Molecular formula
- C23H22F2N4O4
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.16091152
Names & identifiers
- Preferred name
- BMY-21950 free acid, (-)-
- IUPAC
- (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid
Names & synonyms
NP47NXK9LL(-)-Bmy-21950 free acidBMY-21950 free acid, (-)-(-)-BMY-21950BMS-180431-09 free acid, (-)-BMY-21950, (-)-129785-04-26,8-Nonadienoic acid, 9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-, (R-(R*,S*-(E)))-RefChem:199946UNII-NP47NXK9LLorb1698060EX-A16016A
Show more names
AKOS040750883( inverted exclamation markA)-BMY-21950T30550
Database identifiers
- CAS
129785-04-2- PubChem CID
- 6540658
- UNII
- NP47NXK9LL
- Nikkaji
- J579.149I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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