| SpectraBase Compound ID | A7QUMWUcG7 |
|---|---|
| InChI | InChI=1S/C37H54N6O17P2/c1-21-17-41(35(48)39-33(21)46)31-15-27(56-23(3)44)29(58-31)19-54-61(51,43(26-13-9-6-10-14-26)37(50)38-25-11-7-5-8-12-25)60-62(52,53)55-20-30-28(57-24(4)45)16-32(59-30)42-18-22(2)34(47)40-36(42)49/h17-18,25-32H,5-16,19-20H2,1-4H3,(H,38,50)(H,52,53)(H,39,46,48)(H,40,47,49)/t27-,28-,29+,30+,31+,32+,61?/m0/s1 |
| InChIKey | RXUOEVPXMRZJSB-LMXLONFDSA-N |
| Mol Weight | 916.8 g/mol |
| Molecular Formula | C37H54N6O17P2 |
| Exact Mass | 916.302068 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDAuyUP4y7i |
|---|---|
| Name | P-(N,N'-CYCLOHEXYLUREIDO)-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 | C37H54N6O17P2 |
| InChI | InChI=1S/C37H54N6O17P2/c1-21-17-41(35(48)39-33(21)46)31-15-27(56-23(3)44)29(58-31)19-54-61(51,43(26-13-9-6-10-14-26)37(50)38-25-11-7-5-8-12-25)60-62(52,53)55-20-30-28(57-24(4)45)16-32(59-30)42-18-22(2)34(47)40-36(42)49/h17-18,25-32H,5-16,19-20H2,1-4H3,(H,38,50)(H,52,53)(H,39,46,48)(H,40,47,49)/t27-,28-,29+,30+,31+,32+,61?/m0/s1 |
| InChIKey | RXUOEVPXMRZJSB-LMXLONFDSA-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 |