| SpectraBase Compound ID | BVDzj4SJRfW |
|---|---|
| InChI | InChI=1S/C48H60N8O27P2/c1-21-13-53(45(65)49-41(21)61)37-9-29(75-25(5)57)33(79-37)17-71-84(69,72-18-34-30(76-26(6)58)10-38(80-34)54-14-22(2)42(62)50-46(54)66)83-85(70,73-19-35-31(77-27(7)59)11-39(81-35)55-15-23(3)43(63)51-47(55)67)74-20-36-32(78-28(8)60)12-40(82-36)56-16-24(4)44(64)52-48(56)68/h13-16,29-40H,9-12,17-20H2,1-8H3,(H,49,61,65)(H,50,62,66)(H,51,63,67)(H,52,64,68)/t29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+/m0/s1 |
| InChIKey | CIJXNOAAWIHNME-YOJLFLLPSA-N |
| Mol Weight | 1243.0 g/mol |
| Molecular Formula | C48H60N8O27P2 |
| Exact Mass | 1242.304313 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJu5X2D24S0 |
|---|---|
| Name | TETRAKIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H60N8O27P2 |
| InChI | InChI=1S/C48H60N8O27P2/c1-21-13-53(45(65)49-41(21)61)37-9-29(75-25(5)57)33(79-37)17-71-84(69,72-18-34-30(76-26(6)58)10-38(80-34)54-14-22(2)42(62)50-46(54)66)83-85(70,73-19-35-31(77-27(7)59)11-39(81-35)55-15-23(3)43(63)51-47(55)67)74-20-36-32(78-28(8)60)12-40(82-36)56-16-24(4)44(64)52-48(56)68/h13-16,29-40H,9-12,17-20H2,1-8H3,(H,49,61,65)(H,50,62,66)(H,51,63,67)(H,52,64,68)/t29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+/m0/s1 |
| InChIKey | CIJXNOAAWIHNME-YOJLFLLPSA-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 |