| SpectraBase Compound ID | 4vi01hgV9wj |
|---|---|
| InChI | InChI=1S/C30H43N5O16P2/c1-16-12-34(29(40)31-27(16)38)25-10-21(47-18(3)36)23(49-25)14-45-52(42,33-20-8-6-5-7-9-20)51-53(43,44)46-15-24-22(48-19(4)37)11-26(50-24)35-13-17(2)28(39)32-30(35)41/h12-13,20-26H,5-11,14-15H2,1-4H3,(H,33,42)(H,43,44)(H,31,38,40)(H,32,39,41)/t21-,22-,23+,24+,25+,26+,52?/m0/s1 |
| InChIKey | HTJRBKHVZHWQOK-NWXIJLQZSA-N |
| Mol Weight | 791.6 g/mol |
| Molecular Formula | C30H43N5O16P2 |
| Exact Mass | 791.218004 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cOjCJ2IWV0 |
|---|---|
| Name | P-CYCLOHEXYLAMIDO-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE (DIASTEREOMER 2) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H43N5O16P2 |
| InChI | InChI=1S/C30H43N5O16P2/c1-16-12-34(29(40)31-27(16)38)25-10-21(47-18(3)36)23(49-25)14-45-52(42,33-20-8-6-5-7-9-20)51-53(43,44)46-15-24-22(48-19(4)37)11-26(50-24)35-13-17(2)28(39)32-30(35)41/h12-13,20-26H,5-11,14-15H2,1-4H3,(H,33,42)(H,43,44)(H,31,38,40)(H,32,39,41)/t21-,22-,23+,24+,25+,26+,52?/m0/s1 |
| InChIKey | HTJRBKHVZHWQOK-NWXIJLQZSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (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 |