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N-[3'-O-Acetyl-5'-desoxy-thymidinyl-(5')]-phosphoric acid diphenylester amide
SpectraBase Compound ID 1B8eLZz4TH2
InChI InChI=1S/C24H26N3O8P/c1-16-15-27(24(30)26-23(16)29)22-13-20(32-17(2)28)21(33-22)14-25-36(31,34-18-9-5-3-6-10-18)35-19-11-7-4-8-12-19/h3-12,15,20-22H,13-14H2,1-2H3,(H,25,31)(H,26,29,30)/t20-,21+,22+/m0/s1
InChIKey XBWGRYYZHSAUMO-BHDDXSALSA-N
Mol Weight 515.46 g/mol
Molecular Formula C24H26N3O8P
Exact Mass 515.145752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HWAG3yDjt7
Name N-[3'-O-Acetyl-5'-desoxy-thymidinyl-(5')]-phosphoric acid diphenylester amide
Alternate Name(s) (2R,3S,5R)-2-(((diphenoxyphosphoryl)amino)methyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N3O8P
InChI InChI=1S/C24H26N3O8P/c1-16-15-27(24(30)26-23(16)29)22-13-20(32-17(2)28)21(33-22)14-25-36(31,34-18-9-5-3-6-10-18)35-19-11-7-4-8-12-19/h3-12,15,20-22H,13-14H2,1-2H3,(H,25,31)(H,26,29,30)/t20-,21+,22+/m0/s1
InChIKey XBWGRYYZHSAUMO-BHDDXSALSA-N
Literature Reference DOI 10.1002/cber.19721050330
Molecular Weight 515.459 g/mol
SMILES N(P(=O)(Oc1ccccc1)Oc1ccccc1)C[C@]1(O[C@@](N2C(NC(C(=C2)C)=O)=O)(C[C@@]1(OC(C)=O)[H])[H])[H]
SPLASH splash10-03di-1090000000-65c609f032869de1ac90
Source of Spectrum K-105-997-4a
Wiley ID 1794714