13-[[6-methoxy-3,4-bis(oxidanyl)-5-(propylamino)oxan-2-yl]methylamino]triacontan-12-one

Systemtic Name: 13-[[6-methoxy-3,4-bis(oxidanyl)-5-(propylamino)oxan-2-yl]methylamino]triacontan-12-one Openeye Name: 13-[[3,4-dihydroxy-6-methoxy-5-(propylamino)tetrahydropyran-2-yl]methylamino]triacontan-12-one CAS Name: 13-[[3,4-dihydroxy-6-methoxy-5-(propylamino)-2-oxanyl]methylamino]-12-triacontanone IUPAC Name: 13-[[3,4-dihydroxy-6-methoxy-5-(propylamino)oxan-2-yl]methylamino]triacontan-12-one Traditional Name: 13-[[3,4-dihydroxy-6-methoxy-5-(propylamino)tetrahydropyran-2-yl]methylamino]triacontan-12-one Formula: C40H80N2O5 MolecularWeight: 669.0736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCC)NCC1C(C(C(C(O1)OC)NCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCC)NCC1C(C(C(C(O1)OC)NCCC)O)O

InChI

InChI=1S/C40H80N2O5/c1-5-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-34(35(43)31-29-27-25-22-15-13-11-9-6-2)42-33-36-38(44)39(45)37(41-32-7-3)40(46-4)47-36/h34,36-42,44-45H,5-33H2,1-4H3