(1S,2S,10S,13R,14R,15S)-2,14-dihydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-6-ium-6-olate

AlkaPlorer ID: AK321909

Synonym: None

IUPAC Name: (1R,2S,10S,13S,14R,15S)-2,14-dihydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

Structure

SMILES: C[C@H]1C[C@]23[C@@H]4CCC[N+]2([O-])CCC[C@]3(O)[C@@H](CC4=O)[C@@H]1O

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InChI: InChI=1S/C16H25NO4/c1-10-9-15-11-4-2-6-17(15,21)7-3-5-16(15,20)12(14(10)19)8-13(11)18/h10-12,14,19-20H,2-9H2,1H3/t10-,11+,12-,14+,15+,16-,17?/m0/s1

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InChIKey: IGVAYTKOVZGEKF-NFDSEXAMSA-N

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Reference

PubChem CID: 102026861

NPASS: NPC39543

Source

Properties Information

Molecule Weight: 295.379

TPSA: 80.59

MolLogP: 0.9643999999999996

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information