2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-ethyl-2-(1-oxo-4-(phosphonooxy)butoxy)propyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
Basic information
- CAS
200346-83-4- Standard SMILES
CC[C@@H]([C@H](C)OC(=O)CCCOP(=O)(O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O- InChIKey
NLHJBJQMMYCBTA-IGIZVOCXSA-N- Molecular formula
- C41H49F2N8O9P
- Average molar mass
- 866.8 g/mol
- Monoisotopic mass
- 866.33281849
Overview
Sch 59884 is a member of piperazines.
Names & identifiers
- Preferred name
- 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-ethyl-2-(1-oxo-4-(phosphonooxy)butoxy)propyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
- IUPAC
- [(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoate
Names & synonyms
Sch 59884200346-83-4DTXSID30431409RefChem:908792DTXCID903822412,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-((4-(4-(4-(1-((1S,2S)-1-ethyl-2-(1-oxo-4-(phosphonooxy)butoxy)propyl)-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl)phenyl)-1-piperazinyl)phenoxy)methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitolSCHEMBL20711882CHEBI:34971[(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl] 4-phosphonooxybutanoateQ271163422,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{5-oxo-1-[(2S,3S)-2-{[4-(phosphonooxy)butanoyl]oxy}pentan-3-yl]-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
Database identifiers
- CAS
200346-83-4- PubChem CID
- 9833604
- DTXSID
DTXSID30431409- ChEBI
CHEBI:34971- Nikkaji
- J1.659.071A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 19
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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