![5,12-dimethyl-5,8,9,12,20,21-hexahydro-17H-benzo[4,5][1,3,2]diazaphosphinino[2,1-b]benzo[4,5][1,3,2]diazaphosphinino[1,2-g][1,9]dioxa[3,7]diaza[2,8]diphosphacycloundecine-17,23(19H)-dione 6,11-disulfide](/api/spectrum/4JYMVXQfraS/structure.png?h=300&w=458 "5,12-dimethyl-5,8,9,12,20,21-hexahydro-17H-benzo[4,5][1,3,2]diazaphosphinino[2,1-b]benzo[4,5][1,3,2]diazaphosphinino[1,2-g][1,9]dioxa[3,7]diaza[2,8]diphosphacycloundecine-17,23(19H)-dione 6,11-disulfide")
| SpectraBase Compound ID | BceQUCHhwl2 |
|---|---|
| InChI | InChI=1S/C21H24N4O4P2S2/c1-22-18-10-5-3-8-16(18)20(26)24-12-7-13-25-21(27)17-9-4-6-11-19(17)23(2)31(25,33)29-15-14-28-30(22,24)32/h3-6,8-11H,7,12-15H2,1-2H3 |
| InChIKey | BLEVAMONBBGYJH-UHFFFAOYSA-N |
| Mol Weight | 522.51 g/mol |
| Molecular Formula | C21H24N4O4P2S2 |
| Exact Mass | 522.071422 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4JYMVXQfraS |
|---|---|
| Name | 5,12-dimethyl-5,8,9,12,20,21-hexahydro-17H-benzo[4,5][1,3,2]diazaphosphinino[2,1-b]benzo[4,5][1,3,2]diazaphosphinino[1,2-g][1,9]dioxa[3,7]diaza[2,8]diphosphacycloundecine-17,23(19H)-dione 6,11-disulfide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N4O4P2S2 |
| InChI | InChI=1S/C21H24N4O4P2S2/c1-22-18-10-5-3-8-16(18)20(26)24-12-7-13-25-21(27)17-9-4-6-11-19(17)23(2)31(25,33)29-15-14-28-30(22,24)32/h3-6,8-11H,7,12-15H2,1-2H3 |
| InChIKey | BLEVAMONBBGYJH-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_(SICI)1521-3749(200004)626_4_969 |
| Molecular Weight | 522.515 g/mol |
| SMILES | c1cc2c(cc1)N(P1(N(C2=O)CCCN2C(c3c(N(P2(OCCO1)=S)C)cccc3)=O)=S)C |
| SPLASH | splash10-0089-0900140000-24c6898c1456602fa273 |
| Source of Spectrum | DZ-626-973-9 |
| Wiley ID | 1798254 |