Hemsleyinimine A

AlkaPlorer ID: AK300135

Synonym: Hemsleyin imine A

IUPAC Name: N-(1,3-dihydroxyhenicosan-2-ylidene)octadecanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCCC(O)/C(CO)=N\C(=O)CCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C39H77NO3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38(42)37(36-41)40-39(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h38,41-42H,3-36H2,1-2H3/b40-37-

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InChIKey: CEFJVAFGMRXATK-CUXNAULPSA-N

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Reference

CAS: 883222-11-5

Source

Properties Information

Molecule Weight: 608.049

TPSA: 69.89

MolLogP: 12.22029999999998

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information