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Thymidine, 5'-deoxy-5'-(phosphonoamino)-, bis(2,2,2-trichloroethyl) ester
SpectraBase Compound ID 6P46uCNTQgb
InChI InChI=1S/C14H18Cl6N3O7P/c1-7-4-23(12(26)22-11(7)25)10-2-8(24)9(30-10)3-21-31(27,28-5-13(15,16)17)29-6-14(18,19)20/h4,8-10,24H,2-3,5-6H2,1H3,(H,21,27)(H,22,25,26)
InChIKey JSOFVCGHVRLOTM-UHFFFAOYSA-N
Mol Weight 584.0 g/mol
Molecular Formula C14H18Cl6N3O7P
Exact Mass 580.901353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5csGwhiMij
Name Thymidine, 5'-deoxy-5'-(phosphonoamino)-, bis(2,2,2-trichloroethyl) ester
CAS Registry Number 25152-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18Cl6N3O7P
InChI InChI=1S/C14H18Cl6N3O7P/c1-7-4-23(12(26)22-11(7)25)10-2-8(24)9(30-10)3-21-31(27,28-5-13(15,16)17)29-6-14(18,19)20/h4,8-10,24H,2-3,5-6H2,1H3,(H,21,27)(H,22,25,26)
InChIKey JSOFVCGHVRLOTM-UHFFFAOYSA-N
Molecular Weight 584.004 g/mol
SMILES N1C(N(C2CC(C(O2)CNP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O)C=C(C)C1=O)=O
SPLASH splash10-05di-9835100000-3244d765582d100a2e34
Source of Spectrum AD-0-3495-0
Synonyms 1-[5-[[bis(2,2,2-trichloroethoxy)phosphorylamino]methyl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione 1-[5-[[bis(2,2,2-trichloroethoxy)phosphorylamino]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione 1-[5-[[bis(2,2,2-trichloroethoxy)phosphorylamino]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone 1-[5-[[bis(2,2,2-trichloroethoxy)phosphorylamino]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione 1-[5-[[bis[2,2,2-tris(chloranyl)ethoxy]phosphorylamino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Wiley ID 64933