CID 493503
Methyl 2-[[[(2s,3s,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]-3-azido-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Structural Information
- Molecular Formula
- C47H72N9O16PSSi2
- 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@@H]([C@H](O5)COP(=O)(NC(C)C(=O)OC)OC6=CC=CC=C6)N=[N+]=[N-]
- InChI
- InChI=1S/C47H72N9O16PSSi2/c1-29-24-55(37-23-33(50-52-49)34(68-37)26-66-73(62,51-31(3)42(59)65-10)70-32-19-16-15-17-20-32)43(60)53(39(29)57)21-18-22-54-40(58)30(2)25-56(44(54)61)41-38(71-76(13,14)46(7,8)9)47(35(48)28-74(63,64)72-47)36(69-41)27-67-75(11,12)45(4,5)6/h15-17,19-20,24-25,28,31,33-34,36-38,41H,18,21-23,26-27,48H2,1-14H3,(H,51,62)/t31?,33-,34+,36+,37+,38-,41+,47?,73?/m0/s1
- InChIKey
- OPYPTBQKNNROJL-GGXUVGCTSA-N
- Compound name
- methyl 2-[[[(2S,3S,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]-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]+ | 1138.4167 | 277.3 |
[M+Na]+ | 1160.3986 | 287.3 |
[M-H]- | 1136.4021 | 283.0 |
[M+NH4]+ | 1155.4432 | 283.4 |
[M+K]+ | 1176.3726 | 277.8 |
[M+H-H2O]+ | 1120.4067 | 267.1 |
[M+HCOO]- | 1182.4076 | 283.9 |
[M+CH3COO]- | 1196.4233 | 286.5 |
[M+Na-2H]- | 1158.3841 | 302.5 |
[M]+ | 1137.4089 | 310.9 |
[M]- | 1137.4099 | 310.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.