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(Diethoxy-phosphoryl)-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-acetic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(Diethoxy-phosphoryl)-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-acetic acid ethyl ester
SpectraBase Compound ID 5J9WOeLWjCW
InChI InChI=1S/C18H29N2O10P/c1-5-26-16(23)17(31(25,28-6-2)29-7-3)27-10-13-12(21)8-14(30-13)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 QQXFQAMTTJQYPY-FILYFMJVSA-N
Mol Weight 464.41 g/mol
Molecular Formula C18H29N2O10P
Exact Mass 464.155982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2sFYpg7eyK
Name (Diethoxy-phosphoryl)-[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-acetic acid ethyl ester
Alternate Name(s) 5'-O-[diethyl(ethoxycarbonyl)phosphonomethyl]thymidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29N2O10P
InChI InChI=1S/C18H29N2O10P/c1-5-26-16(23)17(31(25,28-6-2)29-7-3)27-10-13-12(21)8-14(30-13)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 QQXFQAMTTJQYPY-FILYFMJVSA-N
Molecular Weight 464.408 g/mol
SMILES N1C(C(=CN([C@]2(C[C@@]([C@](O2)(COC(P(=O)(OCC)OCC)C(=O)OCC)[H])(O)[H])[H])C1=O)C)=O
SPLASH splash10-001j-9102000000-c6f85098bf9739413d23
Source of Spectrum F-68-1906-37a
Wiley ID 1707955