| SpectraBase Compound ID | 8rvlbT4hvr1 |
|---|---|
| InChI | InChI=1S/C49H54N6O19P2/c1-28-22-53(46(60)50-43(28)57)40-19-34(56)37(70-40)26-68-75(63,64)74-36-21-42(55-24-30(3)45(59)52-48(55)62)72-39(36)27-69-76(65,66)73-35-20-41(54-23-29(2)44(58)51-47(54)61)71-38(35)25-67-49(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-18,22-24,34-42,56H,19-21,25-27H2,1-3H3,(H,63,64)(H,65,66)(H,50,57,60)(H,51,58,61)(H,52,59,62)/t34-,35-,36-,37+,38+,39+,40+,41+,42+/m0/s1 |
| InChIKey | DSSIKIZVPDPNPT-MKUVVFLSSA-N |
| Mol Weight | 1092.9 g/mol |
| Molecular Formula | C49H54N6O19P2 |
| Exact Mass | 1092.291898 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lbfnxeBwmh |
|---|---|
| Name | PHOSPHORILATED TRITHYMIDYLATE, DEACYLATED |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C49H54N6O19P2 |
| InChI | InChI=1S/C49H54N6O19P2/c1-28-22-53(46(60)50-43(28)57)40-19-34(56)37(70-40)26-68-75(63,64)74-36-21-42(55-24-30(3)45(59)52-48(55)62)72-39(36)27-69-76(65,66)73-35-20-41(54-23-29(2)44(58)51-47(54)61)71-38(35)25-67-49(31-13-7-4-8-14-31,32-15-9-5-10-16-32)33-17-11-6-12-18-33/h4-18,22-24,34-42,56H,19-21,25-27H2,1-3H3,(H,63,64)(H,65,66)(H,50,57,60)(H,51,58,61)(H,52,59,62)/t34-,35-,36-,37+,38+,39+,40+,41+,42+/m0/s1 |
| InChIKey | DSSIKIZVPDPNPT-MKUVVFLSSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (1983) Bioorganich.Khim.(Russ. Lang.): v.9, N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5H5N pyridine |