| SpectraBase Spectrum ID |
FiHumV72CW7 |
| Name |
(Diethoxy-phosphoryl)-[(2R,3S,5R)-2-hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-acetic acid |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1707954 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H29N2O10P |
| InChI |
InChI=1S/C18H29N2O10P/c1-5-26-16(23)17(31(25,27-6-2)28-7-3)30-12-8-14(29-13(12)10-21)20-9-11(4)15(22)19-18(20)24/h9,12-14,17,21H,5-8,10H2,1-4H3,(H,19,22,24)/t12-,13+,14+,17?/m0/s1 |
| InChIKey |
OEDDJPKJKKJWQQ-FILYFMJVSA-N |
| Molecular Weight |
464.408 g/mol |
| SMILES |
N1C(C(=CN([C@@]2(O[C@](CO)([C@](C2)(OC(P(=O)(OCC)OCC)C(=O)OCC)[H])[H])[H])C1=O)C)=O |
| SPLASH |
splash10-0002-9500000000-9c80f9ec1a6ca2185308 |
| Source of Spectrum |
F-68-1906-37b |
| Synonyms |
3'-O-[diethyl(ethoxycarbonyl)phosphonomethyl]thymidine
Ethyl ester |
| Wiley ID |
1821159 |
![(Diethoxy-phosphoryl)-[(2R,3S,5R)-2-hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-acetic acid](/api/spectrum/FiHumV72CW7/structure.png?h=300&w=458 "(Diethoxy-phosphoryl)-[(2R,3S,5R)-2-hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxy]-acetic acid")
