| SpectraBase Compound ID | 91DnEBhDAoW |
|---|---|
| InChI | InChI=1S/2C25H41N6O8P/c2*1-13(2)31(14(3)4)40(34-10)35-11-15-17-18(38-25(8,9)37-17)21(36-15)30-20-16(19(26)27-12-28-20)29(22(30)32)23(33)39-24(5,6)7/h2*12-15,17-18,21H,11H2,1-10H3,(H2,26,27,28)/t2*15-,17-,18-,21-,40?/m11/s1 |
| InChIKey | XQHVKOMEGXVHBW-XTWFUUMESA-N |
| Mol Weight | 1169.2 g/mol |
| Molecular Formula | C50H82N12O16P2 |
| Exact Mass | 1168.544699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4dyUVMi8zI |
|---|---|
| Name | N7-Tert.-butoxycarbonyl-2',3'-o-isopropylidene-8-oxoadenosine-5'-(methyl-N,N-diisopropylphosphoramidite) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1168.544698588 u |
| Formula | C50H82N12O16P2 |
| InChI | InChI=1S/2C25H41N6O8P/c2*1-13(2)31(14(3)4)40(34-10)35-11-15-17-18(38-25(8,9)37-17)21(36-15)30-20-16(19(26)27-12-28-20)29(22(30)32)23(33)39-24(5,6)7/h2*12-15,17-18,21H,11H2,1-10H3,(H2,26,27,28)/t2*15-,17-,18-,21-,40?/m11/s1 |
| InChIKey | XQHVKOMEGXVHBW-XTWFUUMESA-N |
| Molecular Weight | 1169.222 g/mol |
| SMILES | C1=NC2=C(C(=N1)N)N(C(N2[C@]1([C@]2([C@@]([C@](O1)(COP(OC)N(C(C)C)C(C)C)[H])(OC(O2)(C)C)[H])[H])[H])=O)C(=O)OC(C)(C)C.C1=NC2=C(C(=N1)N)N(C(N2[C@]1([C@]2([C@@]([C@](O1)(COP(OC)N(C(C)C)C(C)C)[H])(OC(O2)(C)C)[H])[H])[H])=O)C(=O)OC(C)(C)C |