| SpectraBase Compound ID | AWweuOttJuu |
|---|---|
| InChI | InChI=1S/C68H78N12O27P4/c1-39-31-77(65(87)69-61(39)83)57-27-49(99-43(5)81)53(101-57)37-97-110(93,105-51-29-59(79-33-41(3)63(85)71-67(79)89)103-55(51)35-95-108(91,73-45-19-11-7-12-20-45)74-46-21-13-8-14-22-46)107-111(94,98-38-54-50(100-44(6)82)28-58(102-54)78-32-40(2)62(84)70-66(78)88)106-52-30-60(80-34-42(4)64(86)72-68(80)90)104-56(52)36-96-109(92,75-47-23-15-9-16-24-47)76-48-25-17-10-18-26-48/h7-26,31-34,49-60H,27-30,35-38H2,1-6H3,(H,69,83,87)(H,70,84,88)(H,71,85,89)(H,72,86,90)(H2,73,74,91)(H2,75,76,92)/t49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,110?,111?/m0/s1 |
| InChIKey | OAUMCYFBJJODJM-HVMOVMOZSA-N |
| Mol Weight | 1619.3 g/mol |
| Molecular Formula | C68H78N12O27P4 |
| Exact Mass | 1618.404983 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEa40gPMNGy |
|---|---|
| Name | P,P'-BIS(5'-O-DIANILIDOPHOSPHORYLDEOXYTHYMIDIN-3'-YL)-P,P'-BIS(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 | C68H78N12O27P4 |
| InChI | InChI=1S/C68H78N12O27P4/c1-39-31-77(65(87)69-61(39)83)57-27-49(99-43(5)81)53(101-57)37-97-110(93,105-51-29-59(79-33-41(3)63(85)71-67(79)89)103-55(51)35-95-108(91,73-45-19-11-7-12-20-45)74-46-21-13-8-14-22-46)107-111(94,98-38-54-50(100-44(6)82)28-58(102-54)78-32-40(2)62(84)70-66(78)88)106-52-30-60(80-34-42(4)64(86)72-68(80)90)104-56(52)36-96-109(92,75-47-23-15-9-16-24-47)76-48-25-17-10-18-26-48/h7-26,31-34,49-60H,27-30,35-38H2,1-6H3,(H,69,83,87)(H,70,84,88)(H,71,85,89)(H,72,86,90)(H2,73,74,91)(H2,75,76,92)/t49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,110?,111?/m0/s1 |
| InChIKey | OAUMCYFBJJODJM-HVMOVMOZSA-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 |