![GUANOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(CARBOXYMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE](/api/spectrum/CONmaVFd035/structure.png?h=300&w=458 "GUANOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(CARBOXYMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE")
| SpectraBase Compound ID | BWU5KDqzgTA |
|---|---|
| InChI | InChI=1S/C22H22N7O14P/c23-22-25-18-15(19(35)26-22)24-8-28(18)21-16(34)17-12(42-21)7-41-44(39,43-17)40-6-10-2-1-9(3-11(10)29(37)38)20(36)27(4-13(30)31)5-14(32)33/h1-3,8,12,16-17,21,34H,4-7H2,(H,30,31)(H,32,33)(H3,23,25,26,35)/p-2/t12-,16-,17-,21-,44-/m0/s1 |
| InChIKey | AONRJSYJLODJBF-DEHOUCTJSA-L |
| Mol Weight | 637.41 g/mol |
| Molecular Formula | C22H20N7O14P |
| Exact Mass | 637.080585 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CONmaVFd035 |
|---|---|
| Name | GUANOSINE-3',5'-CYCLIC-[S-(P)]-[4-[N,N-BIS-(CARBOXYMETHYL)-CARBAMOYL]-2-NITROPHENYL]-METHYL-PHOSPHONATE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H20N7O14P |
| InChI | InChI=1S/C22H22N7O14P/c23-22-25-18-15(19(35)26-22)24-8-28(18)21-16(34)17-12(42-21)7-41-44(39,43-17)40-6-10-2-1-9(3-11(10)29(37)38)20(36)27(4-13(30)31)5-14(32)33/h1-3,8,12,16-17,21,34H,4-7H2,(H,30,31)(H,32,33)(H3,23,25,26,35)/p-2/t12-,16-,17-,21-,44-/m0/s1 |
| InChIKey | AONRJSYJLODJBF-DEHOUCTJSA-L |
| Literature Reference Author | L.WANG,J.E.T.CORRIE,J.F.WOOTTON |
| Literature Reference Citation | J.ORG.CHEM.,67,3474(2002) |
| Literature Reference DOI | 10.1021/jo020040g |
| Solvent | D2O |
| Source File Reference | UWMS24806 |