CID 493505
Methyl 2-[[[(2r,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-hydroxy-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
Structural Information
- Molecular Formula
- C47H73N6O17PSSi2
- 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)O
- InChI
- InChI=1S/C47H73N6O17PSSi2/c1-29-24-52(37-23-33(54)34(66-37)26-64-71(60,49-31(3)42(57)63-10)68-32-19-16-15-17-20-32)43(58)50(39(29)55)21-18-22-51-40(56)30(2)25-53(44(51)59)41-38(69-74(13,14)46(7,8)9)47(35(48)28-72(61,62)70-47)36(67-41)27-65-73(11,12)45(4,5)6/h15-17,19-20,24-25,28,31,33-34,36-38,41,54H,18,21-23,26-27,48H2,1-14H3,(H,49,60)/t31?,33-,34+,36+,37+,38-,41+,47?,71?/m0/s1
- InChIKey
- HLZRHSHVADLLTF-QZSTXPHXSA-N
- Compound name
- methyl 2-[[[(2R,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-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1113.4103 | 274.9 |
[M+Na]+ | 1135.3922 | 285.2 |
[M-H]- | 1111.3957 | 279.2 |
[M+NH4]+ | 1130.4368 | 279.4 |
[M+K]+ | 1151.3662 | 273.0 |
[M+H-H2O]+ | 1095.4003 | 263.4 |
[M+HCOO]- | 1157.4012 | 280.2 |
[M+CH3COO]- | 1171.4169 | 283.0 |
[M+Na-2H]- | 1133.3777 | 286.5 |
[M]+ | 1112.4025 | 292.7 |
[M]- | 1112.4035 | 292.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.