Myxalamide A
Basic information
- CAS
86934-09-0- Standard SMILES
CC[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO- InChIKey
GDEZZTBHSFKRJN-CCICZWJZSA-N- Molecular formula
- C26H41NO3
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.30864417
Overview
(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide has been reported in Myxococcus xanthus with data available.
Names & identifiers
- Preferred name
- Myxalamide A
- IUPAC
- (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamide
- English name
- myxalamid A
- Molecular formula
- C26H41NO3
- Molecular weight
- 415.61
Names & synonyms
Myxalamid AMyxalamide A86934-09-0(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamideDTXSID001318066(2E,4E,6Z,8E,10E,12R,13R,14E,16S)-13-hydroxy-N-((2S)-1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyloctadeca-2,4,6,8,10,14-hexaenamideRefChem:160511DTXCID401747857SCHEMBL298850082,4,6,8,10,14-Octadecahexaenamide, 13-hydroxy-N-(2-hydroxy-1-methylethyl)-2,10,12,14,16-pentamethyl-, (12R-(N(S*),2E,4E,6Z,8E,10E,12R*,13R*,14E,16S*))-2,4,6,8,10,14-Octadecahexaenamide, 13-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-2,10,12,14,16-pentamethyl-, (2E,4E,6Z,8E,10E,12R,13R,14E,16S)-
Database identifiers
- CAS
86934-09-0- PubChem CID
- 6440913
- DTXSID
DTXSID001318066- Nikkaji
- J1.060.288B
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 695
Physicochemical properties
- Boiling point
- 624.3 · 624.3±55.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- pka
- 14.34 · 14.34±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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