| SpectraBase Compound ID | 2Ulqmrc9L9R |
|---|---|
| InChI | InChI=1S/C50H58N5O9P/c1-35-33-54(48(58)52-47(35)57)46-32-44(62-36(2)56)45(63-46)34-61-65(60,55(42-26-16-7-17-27-42)49(59)51-40-24-14-6-15-25-40)64-43-30-28-41(29-31-43)53-50(37-18-8-3-9-19-37,38-20-10-4-11-21-38)39-22-12-5-13-23-39/h3-5,8-13,18-23,28-31,33,40,42,44-46,53H,6-7,14-17,24-27,32,34H2,1-2H3,(H,51,59)(H,52,57,58)/t44-,45+,46+,65?/m0/s1 |
| InChIKey | ICASQKBXDLDVOB-KIAHVEAYSA-N |
| Mol Weight | 904.0 g/mol |
| Molecular Formula | C50H58N5O9P |
| Exact Mass | 903.397215 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HvI3vOU5CYe |
|---|---|
| Name | 3'-O-ACETYLDEOXYTHYMIDINE-5'-O-(4-TRITYLAMINOPHENYL)-N,N'-DICYCLOHEXYLUREIDOPHOSPHATE (DIASTEREOMER MIXTURE) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C50H58N5O9P |
| InChI | InChI=1S/C50H58N5O9P/c1-35-33-54(48(58)52-47(35)57)46-32-44(62-36(2)56)45(63-46)34-61-65(60,55(42-26-16-7-17-27-42)49(59)51-40-24-14-6-15-25-40)64-43-30-28-41(29-31-43)53-50(37-18-8-3-9-19-37,38-20-10-4-11-21-38)39-22-12-5-13-23-39/h3-5,8-13,18-23,28-31,33,40,42,44-46,53H,6-7,14-17,24-27,32,34H2,1-2H3,(H,51,59)(H,52,57,58)/t44-,45+,46+,65?/m0/s1 |
| InChIKey | ICASQKBXDLDVOB-KIAHVEAYSA-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 |