| SpectraBase Compound ID | Hng7NR7BWsf |
|---|---|
| InChI | InChI=1S/C11H16N5O11P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-30(23)26-28(19,20)4-29(21,22)27-30/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | QIKYUENBNFHEGV-IOSLPCCCSA-N |
| Mol Weight | 487.19 g/mol |
| Molecular Formula | C11H16N5O11P3 |
| Exact Mass | 487.005917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2xgHI1ovDbP |
|---|---|
| Name | 2-(Adenosin-5'-yloxy)-2,4,6-trioxo-1,3-dioxa-2,4,6-triphosphorinane |
| 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/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-30(23)26-28(19,20)4-29(21,22)27-30/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | QIKYUENBNFHEGV-IOSLPCCCSA-N |
| Molecular Weight | 487.194 g/mol |
| SMILES | Nc1ncnc2c1N=CN2[C@]1([C@@]([C@@]([C@@](COP2(OP(CP(O2)(O)=O)(O)=O)=O)(O1)[H])(O)[H])(O)[H])[H] |