| SpectraBase Compound ID | BW8QK5hTHD4 |
|---|---|
| InChI | InChI=1S/C27H33N5O16P2.C6H15N/c1-14-11-32(27(37)30-24(14)34)22-9-17(33)19(46-22)12-45-50(41,42)48-18-10-23(47-20(18)13-44-49(38,39)40)31-8-7-21(29-26(31)36)28-25(35)15-3-5-16(43-2)6-4-15;1-4-7(5-2)6-3/h3-8,11,17-20,22-23,33H,9-10,12-13H2,1-2H3,(H,41,42)(H,30,34,37)(H2,38,39,40)(H,28,29,35,36);4-6H2,1-3H3/t17-,18-,19+,20+,22+,23+;/m0./s1 |
| InChIKey | XCOKKFVMJLPCHI-LAGLEEMHSA-N |
| Mol Weight | 846.7 g/mol |
| Molecular Formula | C33H48N6O16P2 |
| Exact Mass | 846.260203 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvYPNDh5jJp |
|---|---|
| Name | 5'-(N-ANISOYL-5'-PHOSPHATOYLDEOXYCYTIDIN-3'-YLOXYPHOSPHORYL)DEOXYTHYMIDINE, TRIETHYLAMMONIUM SALT |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H48N6O16P2 |
| InChI | InChI=1S/C27H33N5O16P2.C6H15N/c1-14-11-32(27(37)30-24(14)34)22-9-17(33)19(46-22)12-45-50(41,42)48-18-10-23(47-20(18)13-44-49(38,39)40)31-8-7-21(29-26(31)36)28-25(35)15-3-5-16(43-2)6-4-15;1-4-7(5-2)6-3/h3-8,11,17-20,22-23,33H,9-10,12-13H2,1-2H3,(H,41,42)(H,30,34,37)(H2,38,39,40)(H,28,29,35,36);4-6H2,1-3H3/t17-,18-,19+,20+,22+,23+;/m0./s1 |
| InChIKey | XCOKKFVMJLPCHI-LAGLEEMHSA-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 |