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(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

View entire compound with spectra: 2 MS (GC)

(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
SpectraBase Compound ID IO9kcxMBmE2
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
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 I4kroyCM9C9
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
Alternate Name(s) 3'-O-[diethyl(ethoxycarbonyl)phosphonomethyl]thymidine
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821159
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 splash10-000t-9000000000-fbf00d3b990cb4cd505d
Source of Spectrum F-68-1906-37b
Wiley ID 1707954