CID 493504
Methyl 2-[[[(2s,5r)-5-[3-[3-[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]propyl]-5-methyl-2,4-dioxo-pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Structural Information
- Molecular Formula
- C47H71N6O16PSSi2
- SMILES
- CC1=CN(C(=O)N(C1=O)CCCN2C(=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[C@H](O5)COP(=O)(NC(C)C(=O)OC)OC6=CC=CC=C6
- InChI
- InChI=1S/C47H71N6O16PSSi2/c1-30-25-52(37-22-21-34(65-37)27-63-70(59,49-32(3)42(56)62-10)67-33-19-16-15-17-20-33)43(57)50(39(30)54)23-18-24-51-40(55)31(2)26-53(44(51)58)41-38(68-73(13,14)46(7,8)9)47(35(48)29-71(60,61)69-47)36(66-41)28-64-72(11,12)45(4,5)6/h15-17,19-22,25-26,29,32,34,36-38,41H,18,23-24,27-28,48H2,1-14H3,(H,49,59)/t32?,34-,36+,37+,38-,41+,47?,70?/m0/s1
- InChIKey
- JRSDNRWUHQQPFE-UDURKGOLSA-N
- Compound name
- methyl 2-[[[(2S,5R)-5-[3-[3-[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]propyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1095.3996 | 270.5 |
[M+Na]+ | 1117.3815 | 281.5 |
[M-H]- | 1093.3850 | 275.0 |
[M+NH4]+ | 1112.4261 | 275.4 |
[M+K]+ | 1133.3555 | 268.5 |
[M+H-H2O]+ | 1077.3896 | 258.6 |
[M+HCOO]- | 1139.3905 | 276.2 |
[M+CH3COO]- | 1153.4062 | 279.1 |
[M+Na-2H]- | 1115.3670 | 281.5 |
[M]+ | 1094.3918 | 290.4 |
[M]- | 1094.3928 | 290.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.