| SpectraBase Compound ID | C90o0byFkKr |
|---|---|
| InChI | InChI=1S/C11H20BN5O12P3S.3Na/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23;;;/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23);;;/q-1;3*+1/p-2/t4-,6-,7-,10-,30?;;;/m0.../s1 |
| InChIKey | MCKHONVRPNPEDN-AJNKXIFHSA-L |
| Mol Weight | 615.03259384 g/mol |
| Molecular Formula | C11H16BN5Na3O12P3S |
| Exact Mass | 614.951516 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzPGFsHAcIW |
|---|---|
| Name | 2-SME-ATP-ALPHA-B;A-ISOMER |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H15BN5Na3O12P3S |
| InChI | InChI=1S/C11H20BN5O12P3S.3Na/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23;;;/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23);;;/q-1;3*+1/p-2/t4-,6-,7-,10-,30?;;;/m0.../s1 |
| InChIKey | MCKHONVRPNPEDN-AJNKXIFHSA-L |
| Literature Reference Author | V.NAHUM,G.ZUENDORF,S.A.LEVESQUE,A.R.BEAUDOIN,G.REISER,B.FISC HER |
| Literature Reference Citation | J.MED.CHEM.,45,5384(2002) |
| Literature Reference DOI | 10.1021/jm020251d |
| Solvent | D2O |
| Source File Reference | UWLU65668 |