(3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoazanium
Basic information
- CAS
23315-05-1- Standard SMILES
CCCCCC/C=C/[N+]([O-])=NC(COC)C(C)O- InChIKey
BCPWSYQGYBTINM-HDHZNLKHSA-N- Molecular formula
- C13H26N2O3
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.1943427
Overview
See also: Elaiomycin (annotation moved to).
Names & identifiers
- Preferred name
- (3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoazanium
- IUPAC
- (3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoazanium
Names & synonyms
23315-05-1NSC-88205(3-hydroxy-1-methoxybutan-2-yl)imino-[(E)-oct-1-enyl]-oxidoazaniumSCHEMBL3369082NSC882052-Butanol, (E,Z)-(2S,3S)-2-Butanol, [S-[R*,R*-(E,Z)]]-
Database identifiers
- CAS
23315-05-1- PubChem CID
- 6141900
- Nikkaji
- J3.022.982G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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