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5-(2,5-Dimethoxyphenyl)-2'-deoxyuridine 5'-phosphate
SpectraBase Compound ID Lah96CsUDHw
InChI InChI=1S/C17H21N2O10P/c1-26-9-3-4-13(27-2)10(5-9)11-7-19(17(22)18-16(11)21)15-6-12(20)14(29-15)8-28-30(23,24)25/h3-5,7,12,14-15,20H,6,8H2,1-2H3,(H,18,21,22)(H2,23,24,25)/t12-,14+,15+/m0/s1
InChIKey BGPVSXJXHKUHGF-NWANDNLSSA-N
Mol Weight 444.33 g/mol
Molecular Formula C17H21N2O10P
Exact Mass 444.093382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdpKJViXR3X
Name 5-(2,5-Dimethoxyphenyl)-2'-deoxyuridine 5'-phosphate
Alternate Name(s) {[(2R,3S,5R)-5-[5-(2,5-dimethoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
CAS Registry Number 76756-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N2O10P
InChI InChI=1S/C17H21N2O10P/c1-26-9-3-4-13(27-2)10(5-9)11-7-19(17(22)18-16(11)21)15-6-12(20)14(29-15)8-28-30(23,24)25/h3-5,7,12,14-15,20H,6,8H2,1-2H3,(H,18,21,22)(H2,23,24,25)/t12-,14+,15+/m0/s1
InChIKey BGPVSXJXHKUHGF-NWANDNLSSA-N
Molecular Weight 444.333 g/mol
SMILES N1C(C(=CN([C@@]2(O[C@](COP(=O)(O)O)([C@](C2)(O)[H])[H])[H])C1=O)c1c(ccc(c1)OC)OC)=O
SPLASH splash10-01ot-0890000000-68e06da16a273f3324f4
Source of Spectrum J-46-1997-0
Wiley ID 1385858