Basic information
- Standard SMILES
CCCCCC1=NN(C(=O)CCO)OC(CCCCC)C1- InChIKey
MPGIDXBHXRMMSY-UHFFFAOYSA-N- Molecular formula
- C16H30N2O3
- Average molar mass
- 298.42 g/mol
- Monoisotopic mass
- 298.22564282
Overview
has antineoplastic activity; isolated from Nostoc, Nodularia, and Anabaena; structure in first source
Names & identifiers
- Preferred name
- Nocuolin A
- IUPAC
- 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
Names & synonyms
Nocuolin ARefChem:9278611-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-oneNocuolinSCHEMBL18725300DTXSID801046596
Database identifiers
- PubChem CID
- 129017397
- DTXSID
DTXSID801046596
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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