| SpectraBase Compound ID | 8YdPQASEnht |
|---|---|
| InChI | InChI=1S/C37H37N11O13P2/c38-12-7-13-56-63(55,58-17-27-25(50)15-29(60-27)48-21-44-31-33(40-19-42-35(31)48)46-37(52)23-10-5-2-6-11-23)61-62(53,54)57-16-26-24(49)14-28(59-26)47-20-43-30-32(39-18-41-34(30)47)45-36(51)22-8-3-1-4-9-22/h1-6,8-11,18-21,24-29,49-50H,7,13-17H2,(H,53,54)(H,39,41,45,51)(H,40,42,46,52)/t24-,25-,26+,27+,28+,29+,63?/m0/s1 |
| InChIKey | LEPZMURGWFSQPM-RRKIGOOMSA-N |
| Mol Weight | 905.7 g/mol |
| Molecular Formula | C37H37N11O13P2 |
| Exact Mass | 905.204754 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLmNnFp6QaO |
|---|---|
| Name | P,P'-BIS(N-BENZOYLDEOXYADENOSIN-5'-YL)-P-CYANOETHYLPYROPHOSPHATE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H37N11O13P2 |
| InChI | InChI=1S/C37H37N11O13P2/c38-12-7-13-56-63(55,58-17-27-25(50)15-29(60-27)48-21-44-31-33(40-19-42-35(31)48)46-37(52)23-10-5-2-6-11-23)61-62(53,54)57-16-26-24(49)14-28(59-26)47-20-43-30-32(39-18-41-34(30)47)45-36(51)22-8-3-1-4-9-22/h1-6,8-11,18-21,24-29,49-50H,7,13-17H2,(H,53,54)(H,39,41,45,51)(H,40,42,46,52)/t24-,25-,26+,27+,28+,29+,63?/m0/s1 |
| InChIKey | LEPZMURGWFSQPM-RRKIGOOMSA-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 |