![9-[4-(Diphosphoryloxyphosphonylmethoxy)-cyclopent-2-enyl]-guanine](/api/spectrum/GOmVGIlru2r/structure.png?h=300&w=458 "9-[4-(Diphosphoryloxyphosphonylmethoxy)-cyclopent-2-enyl]-guanine")
| SpectraBase Compound ID | 2k50dwx9x0t |
|---|---|
| InChI | InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-4-16(9)6-1-2-7(3-6)25-5-28(18,19)26-30(23,24)27-29(20,21)22/h1-2,4,6-7H,3,5H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,17)/t6-,7+/m0/s1 |
| InChIKey | FBSKDDHRSQBRNC-NKWVEPMBSA-N |
| Mol Weight | 487.19 g/mol |
| Molecular Formula | C11H16N5O11P3 |
| Exact Mass | 487.005917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOmVGIlru2r |
|---|---|
| Name | 9-[4-(Diphosphoryloxyphosphonylmethoxy)-cyclopent-2-enyl]-guanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 487.005917338 u |
| Formula | C11H16N5O11P3 |
| InChI | InChI=1S/C11H16N5O11P3/c12-11-14-9-8(10(17)15-11)13-4-16(9)6-1-2-7(3-6)25-5-28(18,19)26-30(23,24)27-29(20,21)22/h1-2,4,6-7H,3,5H2,(H,18,19)(H,23,24)(H2,20,21,22)(H3,12,14,15,17)/t6-,7+/m0/s1 |
| InChIKey | FBSKDDHRSQBRNC-NKWVEPMBSA-N |
| Molecular Weight | 487.194 g/mol |
| Nominal Mass | 487 u |
| SMILES | C1(N)=NC2=C(C(=O)N1)N=CN2[C@]1(C=C[C@](C1)(OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)[H])[H] |