![BENZYL-N-[2-[(4-N-BENZOYL-2'-DEOXYCYTIDIN-3'-O-YL)-PHOSPHONYL]-ETHYL]-N-(THYMIN-1-YL-ACETYL)-GLYCINATE](/api/spectrum/70r9TZpvJzN/structure.png?h=300&w=458 "BENZYL-N-[2-[(4-N-BENZOYL-2'-DEOXYCYTIDIN-3'-O-YL)-PHOSPHONYL]-ETHYL]-N-(THYMIN-1-YL-ACETYL)-GLYCINATE")
| SpectraBase Compound ID | 5W64oW4wF6S |
|---|---|
| InChI | InChI=1S/2C39H47N6O15P/c2*1-24-17-44(38(52)42-36(24)51)18-32(47)43(19-33(48)57-22-26-10-6-3-7-11-26)14-15-61(54,55)60-27-16-31(58-28(27)20-46)40-30-12-13-45(39(53)41-30)37-35(50)34(49)29(59-37)23-56-21-25-8-4-2-5-9-25/h2*2-13,17,27-29,31,34-35,37,46,49-50H,14-16,18-23H2,1H3,(H,54,55)(H,40,41,53)(H,42,51,52)/t2*27-,28+,29+,31+,34+,35+,37+/m11/s1 |
| InChIKey | WRGIIOOUQUZLRP-FPHRYJDZSA-N |
| Mol Weight | 1741.6 g/mol |
| Molecular Formula | C78H94N12O30P2 |
| Exact Mass | 1740.567404 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70r9TZpvJzN |
|---|---|
| Name | BENZYL-N-[2-[(4-N-BENZOYL-2'-DEOXYCYTIDIN-3'-O-YL)-PHOSPHONYL]-ETHYL]-N-(THYMIN-1-YL-ACETYL)-GLYCINATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H92N12O30P2 |
| InChI | InChI=1S/2C39H47N6O15P/c2*1-24-17-44(38(52)42-36(24)51)18-32(47)43(19-33(48)57-22-26-10-6-3-7-11-26)14-15-61(54,55)60-27-16-31(58-28(27)20-46)40-30-12-13-45(39(53)41-30)37-35(50)34(49)29(59-37)23-56-21-25-8-4-2-5-9-25/h2*2-13,17,27-29,31,34-35,37,46,49-50H,14-16,18-23H2,1H3,(H,54,55)(H,40,41,53)(H,42,51,52)/t2*27-,28+,29+,31+,34+,35+,37+/m11/s1 |
| InChIKey | WRGIIOOUQUZLRP-FPHRYJDZSA-N |
| Literature Reference Author | P.YU,W.WANG,H.ZHANG,X.YANG,T.C.LIANG,X.GAO |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,107(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(00)00230-3 |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU21994 |