| SpectraBase Compound ID | 9h094Atg8Ix |
|---|---|
| InChI | InChI=1S/2C15H22N7O8P/c2*16-11-8-12(19-5-18-11)22(15(26)20-8)14-10(24)9(23)7(30-14)4-29-31(27,28)21-13(25)6-2-1-3-17-6/h2*5-7,9-10,14,17,23-24H,1-4H2,(H,20,26)(H2,16,18,19)(H2,21,25,27,28)/t2*6-,7-,9-,10-,14-/m00/s1 |
| InChIKey | IYTQORWTYIPRIS-WACAGQNCSA-N |
| Mol Weight | 918.71 g/mol |
| Molecular Formula | C30H44N14O16P2 |
| Exact Mass | 918.253495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1olBIhFGG9j |
|---|---|
| Name | PHOSMIDOSINE-B;8-OXOADENOSINE-5'-(N-L-PROLYLPHOSPHORAMIDATE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44N14O16P2 |
| InChI | InChI=1S/2C15H22N7O8P/c2*16-11-8-12(19-5-18-11)22(15(26)20-8)14-10(24)9(23)7(30-14)4-29-31(27,28)21-13(25)6-2-1-3-17-6/h2*5-7,9-10,14,17,23-24H,1-4H2,(H,20,26)(H2,16,18,19)(H2,21,25,27,28)/t2*6-,7-,9-,10-,14-/m00/s1 |
| InChIKey | IYTQORWTYIPRIS-WACAGQNCSA-N |
| Literature Reference Author | T.MORIGUCHI,N.ASAI,K.OKADA,K.SEIO,T.SASAKI,M.SEKINE |
| Literature Reference Citation | J.ORG.CHEM.,67,3290(2002) |
| Literature Reference DOI | 10.1021/jo016176g |
| Molecular Weight | 918.711 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU25623 |