Fusarin PM(sub 1)
Basic information
- CAS
114661-56-2- Standard SMILES
C/C=C(/C=C(C)/C=C(C)/C=C/C=C(\C)C(=O)[C@]12O[C@@H]1[C@@](O)(CCO)NC2=O)C(=O)O- InChIKey
XHUWOZSYNQDIPZ-WYOBEYTMSA-N- Molecular formula
- C22H27NO7
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.1787522
Names & identifiers
- Preferred name
- Fusarin PM(sub 1)
- IUPAC
- (2Z,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4S,5S)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoic acid
Names & synonyms
Fusarin PM(sub 1)Fusarin PM1114661-56-23,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-(4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hex-1-yl)-11-oxo-4,6,10-trimethyl-, (1R-(1-alpha(2E,3E,5E,7E,9E),4-alpha,5-alpha))-
Database identifiers
- CAS
114661-56-2- PubChem CID
- 6440148
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 908
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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