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(Diethoxy-phosphoryl)-[(3aR,4R,6aR)-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethoxy]-acetic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(Diethoxy-phosphoryl)-[(3aR,4R,6aR)-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethoxy]-acetic acid ethyl ester
SpectraBase Compound ID J6fmbJhMhTS
InChI InChI=1S/C20H31N2O11P/c1-6-27-17(24)18(34(26,29-7-2)30-8-3)28-11-12-14-15(33-20(4,5)32-14)16(31-12)22-10-9-13(23)21-19(22)25/h9-10,12,14-16,18H,6-8,11H2,1-5H3,(H,21,23,25)/t12-,14-,15-,16?,18?/m1/s1
InChIKey DWZXHLVTLLMAMO-KRDLFLETSA-N
Mol Weight 506.44 g/mol
Molecular Formula C20H31N2O11P
Exact Mass 506.166547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB4i7PGpThP
Name (Diethoxy-phosphoryl)-[(3aR,4R,6aR)-6-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethoxy]-acetic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N2O11P
InChI InChI=1S/C20H31N2O11P/c1-6-27-17(24)18(34(26,29-7-2)30-8-3)28-11-12-14-15(33-20(4,5)32-14)16(31-12)22-10-9-13(23)21-19(22)25/h9-10,12,14-16,18H,6-8,11H2,1-5H3,(H,21,23,25)/t12-,14-,15-,16?,18?/m1/s1
InChIKey DWZXHLVTLLMAMO-KRDLFLETSA-N
Molecular Weight 506.445 g/mol
SMILES N1C(C=CN(C1=O)C1[C@]2([C@](OC(O2)(C)C)([C@](O1)(COC(P(=O)(OCC)OCC)C(=O)OCC)[H])[H])[H])=O
SPLASH splash10-0006-9010000000-b572b8e2a482bfa1e9b5
Source of Spectrum F-68-1904-21
Synonyms 5'-O-[Diethyl(ethoxycarbonyl)phosphonomethyl]-2',3'-O-isopropylidene uridine
Wiley ID 1707966