![(sp)-5'-o-[bis-(4-Methoxyphenyl)-phenylmethyl]-3'-o-[(2S,5S)-3-methyl-5-phenyl-1,3,2-oxazaphospholidin-2-yl]-thymidine](/api/spectrum/G68PBD78Swy/structure.png?h=300&w=458 "(sp)-5'-o-[bis-(4-Methoxyphenyl)-phenylmethyl]-3'-o-[(2S,5S)-3-methyl-5-phenyl-1,3,2-oxazaphospholidin-2-yl]-thymidine")
| SpectraBase Compound ID | LP0L9ov9tLs |
|---|---|
| InChI | InChI=1S/C40H42N3O8P/c1-27-24-43(39(45)41-38(27)44)37-23-34(50-52-42(2)25-35(51-52)28-11-7-5-8-12-28)36(49-37)26-48-40(29-13-9-6-10-14-29,30-15-19-32(46-3)20-16-30)31-17-21-33(47-4)22-18-31/h5-22,24,34-37H,23,25-26H2,1-4H3,(H,41,44,45)/t34-,35+,36+,37+,52?/m1/s1 |
| InChIKey | RDASMFGKEAQMOF-FABCNBRWSA-N |
| Mol Weight | 723.8 g/mol |
| Molecular Formula | C40H42N3O8P |
| Exact Mass | 723.270952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G68PBD78Swy |
|---|---|
| Name | (sp)-5'-o-[bis-(4-Methoxyphenyl)-phenylmethyl]-3'-o-[(2S,5S)-3-methyl-5-phenyl-1,3,2-oxazaphospholidin-2-yl]-thymidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 723.270952314 u |
| Formula | C40H42N3O8P |
| InChI | InChI=1S/C40H42N3O8P/c1-27-24-43(39(45)41-38(27)44)37-23-34(50-52-42(2)25-35(51-52)28-11-7-5-8-12-28)36(49-37)26-48-40(29-13-9-6-10-14-29,30-15-19-32(46-3)20-16-30)31-17-21-33(47-4)22-18-31/h5-22,24,34-37H,23,25-26H2,1-4H3,(H,41,44,45)/t34-,35+,36+,37+,52?/m1/s1 |
| InChIKey | RDASMFGKEAQMOF-FABCNBRWSA-N |
| Molecular Weight | 723.763 g/mol |
| SMILES | C1(=O)N(C=C(C)C(=O)N1)[C@@]1(C[C@]([C@@](O1)(COC(C1=CC=CC=C1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)[H])(OP1N(C[C@](O1)(C1=CC=CC=C1)[H])C)[H])[H] |