![(1'S,4'R)-9-(4'-[[(CARBOXYMETHYL)-HYDROXYPHOSPHORYLOXY]-(HYDROXY)-PHOSPHORYLMETHOXY]-CYCLOPENT-2'-ENYL)-GUANINE-(TRIS-AMMONIUM-SALT)](/api/spectrum/GeUEAgbZyrP/structure.png?h=300&w=458 "(1'S,4'R)-9-(4'-[[(CARBOXYMETHYL)-HYDROXYPHOSPHORYLOXY]-(HYDROXY)-PHOSPHORYLMETHOXY]-CYCLOPENT-2'-ENYL)-GUANINE-(TRIS-AMMONIUM-SALT)")
| SpectraBase Compound ID | L4uxyhkGEKZ |
|---|---|
| InChI | InChI=1S/C13H17N5O9P2/c14-13-16-11-10(12(21)17-13)15-5-18(11)7-1-2-8(3-7)26-6-29(24,25)27-28(22,23)4-9(19)20/h1-2,5,7-8H,3-4,6H2,(H,19,20)(H,22,23)(H,24,25)(H3,14,16,17,21)/t7-,8+/m1/s1 |
| InChIKey | HCSLHZMKTNLKJO-SFYZADRCSA-N |
| Mol Weight | 449.25 g/mol |
| Molecular Formula | C13H17N5O9P2 |
| Exact Mass | 449.050151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeUEAgbZyrP |
|---|---|
| Name | (1'S,4'R)-9-(4'-[[(CARBOXYMETHYL)-HYDROXYPHOSPHORYLOXY]-(HYDROXY)-PHOSPHORYLMETHOXY]-CYCLOPENT-2'-ENYL)-GUANINE-(TRIS-AMMONIUM-SALT) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H15N5O9P2 |
| InChI | InChI=1S/C13H17N5O9P2/c14-13-16-11-10(12(21)17-13)15-5-18(11)7-1-2-8(3-7)26-6-29(24,25)27-28(22,23)4-9(19)20/h1-2,5,7-8H,3-4,6H2,(H,19,20)(H,22,23)(H,24,25)(H3,14,16,17,21)/t7-,8+/m1/s1 |
| InChIKey | HCSLHZMKTNLKJO-SFYZADRCSA-N |
| Literature Reference Author | C.J.HAMILTON,S.M.ROBERTS |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1051(1999) |
| Molecular Weight | 447.238 g/mol |
| Solvent | D2O |
| Source File Reference | UWPA501 |