![9-[5'-o-(Imidodiphosphate)-3'-o-propionyl-beta-D-ribofurnaosyl]-guanine](/api/spectrum/9RoIaNQV2u0/structure.png?h=300&w=458 "9-[5'-o-(Imidodiphosphate)-3'-o-propionyl-beta-D-ribofurnaosyl]-guanine")
| SpectraBase Compound ID | 1acP5VedmEp |
|---|---|
| InChI | InChI=1S/C13H20N6O11P2/c1-2-6(20)30-9-5(3-28-32(26,27)18-31(23,24)25)29-12(8(9)21)19-4-15-7-10(19)16-13(14)17-11(7)22/h4-5,8-9,12,21H,2-3H2,1H3,(H3,14,16,17,22)(H4,18,23,24,25,26,27)/t5-,8-,9-,12-/m0/s1 |
| InChIKey | MYDRYFPHDNPBAK-ROXUDPPMSA-N |
| Mol Weight | 498.28 g/mol |
| Molecular Formula | C13H20N6O11P2 |
| Exact Mass | 498.066529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RoIaNQV2u0 |
|---|---|
| Name | 9-[5'-o-(Imidodiphosphate)-3'-o-propionyl-beta-D-ribofurnaosyl]-guanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.066529473 u |
| Formula | C13H20N6O11P2 |
| InChI | InChI=1S/C13H20N6O11P2/c1-2-6(20)30-9-5(3-28-32(26,27)18-31(23,24)25)29-12(8(9)21)19-4-15-7-10(19)16-13(14)17-11(7)22/h4-5,8-9,12,21H,2-3H2,1H3,(H3,14,16,17,22)(H4,18,23,24,25,26,27)/t5-,8-,9-,12-/m0/s1 |
| InChIKey | MYDRYFPHDNPBAK-ROXUDPPMSA-N |
| Molecular Weight | 498.282 g/mol |
| Nominal Mass | 498 u |
| SMILES | C1(=NC=2N(C=NC2C(=N1)O)[C@@]1([C@@](O)([C@@](OC(=O)CC)([C@@](O1)(COP(=O)(O)NP(=O)(O)O)[H])[H])[H])[H])N |