| SpectraBase Compound ID | 8AxUjU6kxHg |
|---|---|
| InChI | InChI=1S/C21H28BN5O12P3/c1-12-10-27(21(30)25-20(12)29)18-7-6-14(37-18)11-36-40(22,31)38-42(34,35)39-41(32,33)26-17(19(23)28)8-13-9-24-16-5-3-2-4-15(13)16/h2-7,9-10,14,17-18,24H,8,11H2,1,22H3,(H2,23,28)(H,34,35)(H,25,29,30)(H2,26,32,33)/q-1/p+1/t14-,17-,18+,40?/m0/s1 |
| InChIKey | YKOFBHVTCSPBNZ-CQFFWZAISA-O |
| Mol Weight | 645.2 g/mol |
| Molecular Formula | C21H27BN5O12P3 |
| Exact Mass | 645.096212 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hEbSjUKcvP |
|---|---|
| Name | S(P)-STAVUDINE-5'-ALPHA-P-BORANO-GAMMA-P-N-L-TRYPTOPHANYL-NH2-TRIPHOSPHATE;S(P)-D4T-5'-ALPHA-P-BORANO-GAMMA-P-N-L-TRP-NH2-TRIPHOSPHATE |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H25BN5O12P3 |
| InChI | InChI=1S/C21H28BN5O12P3/c1-12-10-27(21(30)25-20(12)29)18-7-6-14(37-18)11-36-40(22,31)38-42(34,35)39-41(32,33)26-17(19(23)28)8-13-9-24-16-5-3-2-4-15(13)16/h2-7,9-10,14,17-18,24H,8,11H2,1,22H3,(H2,23,28)(H,34,35)(H,25,29,30)(H2,26,32,33)/q-1/p+1/t14-,17-,18+,40?/m0/s1 |
| InChIKey | YKOFBHVTCSPBNZ-CQFFWZAISA-O |
| Literature Reference Author | Z.XU,B.R.SHAW |
| Literature Reference Citation | MOLECULES,20,18808(2015) |
| Literature Reference DOI | 10.3390/molecules201018808 |
| Solvent | D2O |
| Source File Reference | UWPA5331 |