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(Diethoxy-phosphoryl)-{(2R,3S,5R)-3-hydroxy-5-[3-(2-methoxy-ethoxymethyl)-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-[3-(2-methoxy-ethoxymethyl)-5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-ylmethoxy}-acetic acid ethyl ester
SpectraBase Compound ID I97goGaZJlW
InChI InChI=1S/C22H37N2O12P/c1-6-32-20(27)21(37(29,34-7-2)35-8-3)33-13-17-16(25)11-18(36-17)23-12-15(4)19(26)24(22(23)28)14-31-10-9-30-5/h12,16-18,21,25H,6-11,13-14H2,1-5H3/t16-,17+,18+,21?/m0/s1
InChIKey MSICYRPFVCGYTA-AJWVKVEISA-N
Mol Weight 552.5 g/mol
Molecular Formula C22H37N2O12P
Exact Mass 552.208412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ai59IiF0BW7
Name (Diethoxy-phosphoryl)-{(2R,3S,5R)-3-hydroxy-5-[3-(2-methoxy-ethoxymethyl)-5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-2-ylmethoxy}-acetic acid ethyl ester
Alternate Name(s) N3-Methoxyethoxymethyl-5'-O-[diethyl(ethoxycarbonyl)phosphonomethyl]thymidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H37N2O12P
InChI InChI=1S/C22H37N2O12P/c1-6-32-20(27)21(37(29,34-7-2)35-8-3)33-13-17-16(25)11-18(36-17)23-12-15(4)19(26)24(22(23)28)14-31-10-9-30-5/h12,16-18,21,25H,6-11,13-14H2,1-5H3/t16-,17+,18+,21?/m0/s1
InChIKey MSICYRPFVCGYTA-AJWVKVEISA-N
Molecular Weight 552.514 g/mol
SMILES O[C@]1(C[C@](N2C(N(COCCOC)C(C(=C2)C)=O)=O)(O[C@@]1(COC(P(=O)(OCC)OCC)C(=O)OCC)[H])[H])[H]
SPLASH splash10-008j-9340000000-ed15a5c90bdf5fd742ac
Source of Spectrum F-68-1905-36a
Wiley ID 1707958