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(R/S)-1-[5'-(Carboxymethylamino)-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile]uracil sodium salt
SpectraBase Compound ID Fume5ihoFDD
InChI InChI=1S/C15H18N4O7.Na/c1-15(2)25-11-10(7(5-16)17-6-9(21)22)24-13(12(11)26-15)19-4-3-8(20)18-14(19)23;/h3-4,7,10-13,17H,6H2,1-2H3,(H,21,22)(H,18,20,23);/q;+1/p-1/t7-,10?,11-,12-,13+;/m1./s1
InChIKey OXNPRLFHQMEXQR-CRSGENJYSA-M
Mol Weight 388.31 g/mol
Molecular Formula C15H17N4NaO7
Exact Mass 388.099493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSHHhAse9m0
Name (R/S)-1-[5'-(Carboxymethylamino)-5'-deoxy-2',3'-O isopropylidene-.beta.,D-allo(.alpha.,L-talo)furanurononitrile]uracil sodium salt
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Formula C15H17N4NaO7
InChI InChI=1S/C15H18N4O7.Na/c1-15(2)25-11-10(7(5-16)17-6-9(21)22)24-13(12(11)26-15)19-4-3-8(20)18-14(19)23;/h3-4,7,10-13,17H,6H2,1-2H3,(H,21,22)(H,18,20,23);/q;+1/p-1/t7-,10?,11-,12-,13+;/m1./s1
InChIKey OXNPRLFHQMEXQR-CRSGENJYSA-M
Molecular Weight 388.312 g/mol
SMILES [Na+].N1C(N([C@]2(OC([C@](NCC([O-])=O)(C#N)[H])[C@]3(OC(O[C@@]23[H])(C)C)[H])[H])C=CC1=O)=O
SPLASH splash10-0a4i-0092000000-838b25d8d7b610470208
Source of Spectrum SO-0-979-12
Synonyms sodium 2-{[(R)-[(3aR,6S,6aR)-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl](cyano)methyl]amino}acetate
Wiley ID 1539594