CID 493507
Methyl 2-[[[(2s,3s,5r)-5-[3-[6-[3-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]hexyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]-3-azido-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Structural Information
- Molecular Formula
- C50H78N9O16PSSi2
- SMILES
- CC1=CN(C(=O)N(C1=O)CCCCCCN2C(=O)C(=CN(C2=O)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C)C)[C@H]5C[C@@H]([C@H](O5)COP(=O)(NC(C)C(=O)OC)OC6=CC=CC=C6)N=[N+]=[N-]
- InChI
- InChI=1S/C50H78N9O16PSSi2/c1-32-27-58(40-26-36(53-55-52)37(71-40)29-69-76(65,54-34(3)45(62)68-10)73-35-22-18-17-19-23-35)46(63)56(42(32)60)24-20-15-16-21-25-57-43(61)33(2)28-59(47(57)64)44-41(74-79(13,14)49(7,8)9)50(38(51)31-77(66,67)75-50)39(72-44)30-70-78(11,12)48(4,5)6/h17-19,22-23,27-28,31,34,36-37,39-41,44H,15-16,20-21,24-26,29-30,51H2,1-14H3,(H,54,65)/t34?,36-,37+,39+,40+,41-,44+,50?,76?/m0/s1
- InChIKey
- QMTUKMQHAISFJU-YZICCZJVSA-N
- Compound name
- methyl 2-[[[(2S,3S,5R)-5-[3-[6-[3-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]hexyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-3-azidooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1180.4636 | 284.8 |
[M+Na]+ | 1202.4455 | 294.9 |
[M-H]- | 1178.4490 | 290.6 |
[M+NH4]+ | 1197.4901 | 290.9 |
[M+K]+ | 1218.4195 | 285.0 |
[M+H-H2O]+ | 1162.4536 | 274.5 |
[M+HCOO]- | 1224.4545 | 291.3 |
[M+CH3COO]- | 1238.4702 | 293.6 |
[M+Na-2H]- | 1200.4310 | 310.4 |
[M]+ | 1179.4558 | 318.4 |
[M]- | 1179.4568 | 318.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.