[?] hexaoxide structure

[?] hexaoxide

6λ6,13λ6,16λ6-trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide

Also Known As: [?] hexaoxide|NCI60_002789|6lambda6,13lambda6,16lambda6-Trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide|Octahydro-1H,11H-1,9-(epiminothioimino)-5lambda~6~,11lambda~6~-dipyrrolo[1,2-b:2',1'-g][1,5,2,4,6,8]dithiatetrazocine-5,5,11,11,14,14(6H)-hexone|Octahydro-1H,6H-1,9-(epiminothioimino)dipyrrolo[1,2-b:2',1'-g][1,5,2,4,6,8]dithiatetrazocine 5,5,11,11,14,14-hexaoxide

CAS: 64844-17-3
Molecular Formula C8H16N6O6S3
Molecular Weight 388.02936 g/mol
LogP -1.7
Topological Polar Surface Area 182.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
Rotatable Bonds 0
Exact Mass 388.02936
Monoisotopic Mass 388.02936
Heavy Atoms 23
Complexity 719.0

Chemical Identifiers

CAS Number 64844-17-3
SMILES C1CC2NS(=O)(=O)NC3CCC4N3S(=O)(=O)N2C1NS(=O)(=O)N4
InChIKey XBPOYRLUVFMFID-UHFFFAOYSA-N

Product Overview

[?] hexaoxide (CAS 64844-17-3), with molecular formula C8H16N6O6S3 and molecular weight 388.02936 g/mol. IUPAC: 6λ6,13λ6,16λ6-trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide.

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