![hexanoic acid [(2R,3S,5R)-5-[4-(caproylamino)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester](/api/spectrum/HAfVCmrA00M/structure.png?h=300&w=458 "hexanoic acid [(2R,3S,5R)-5-[4-(caproylamino)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester")
| SpectraBase Compound ID | Of5pAoRD2O |
|---|---|
| InChI | InChI=1S/C21H33N3O6/c1-3-5-7-9-18(26)22-17-11-12-24(21(28)23-17)19-13-15(25)16(30-19)14-29-20(27)10-8-6-4-2/h11-12,15-16,19,25H,3-10,13-14H2,1-2H3,(H,22,23,26,28)/t15-,16+,19+/m0/s1 |
| InChIKey | QYMZEZXLQFOZBA-FRQCXROJSA-N |
| Mol Weight | 423.5 g/mol |
| Molecular Formula | C21H33N3O6 |
| Exact Mass | 423.236936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAfVCmrA00M |
|---|---|
| Name | hexanoic acid [(2R,3S,5R)-5-[4-(caproylamino)-2-keto-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl ester |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H33N3O6 |
| InChI | InChI=1S/C21H33N3O6/c1-3-5-7-9-18(26)22-17-11-12-24(21(28)23-17)19-13-15(25)16(30-19)14-29-20(27)10-8-6-4-2/h11-12,15-16,19,25H,3-10,13-14H2,1-2H3,(H,22,23,26,28)/t15-,16+,19+/m0/s1 |
| InChIKey | QYMZEZXLQFOZBA-FRQCXROJSA-N |
| Literature Reference Author | F.MORIS,V.GOTOR |
| Literature Reference Citation | J.ORG.CHEM.,58,653(1993) |
| Literature Reference DOI | 10.1021/jo00055a018 |
| Molecular Weight | 423.510 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS18862 |