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[(2R,3S,4R,5R)-5-[4-(butanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl butanoate
SpectraBase Compound ID HQqDgQKyOnb
InChI InChI=1S/C17H25N3O7/c1-3-5-12(21)18-11-7-8-20(17(25)19-11)16-15(24)14(23)10(27-16)9-26-13(22)6-4-2/h7-8,10,14-16,23-24H,3-6,9H2,1-2H3,(H,18,19,21,25)/t10-,14-,15-,16-/m1/s1
InChIKey ASPNGUMSKAYHSW-HMTTWLPMSA-N
Mol Weight 383.4 g/mol
Molecular Formula C17H25N3O7
Exact Mass 383.16925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eCJ6HtMp9O
Name [(2R,3S,4R,5R)-5-[4-(butanoylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N3O7
InChI InChI=1S/C17H25N3O7/c1-3-5-12(21)18-11-7-8-20(17(25)19-11)16-15(24)14(23)10(27-16)9-26-13(22)6-4-2/h7-8,10,14-16,23-24H,3-6,9H2,1-2H3,(H,18,19,21,25)/t10-,14-,15-,16-/m1/s1
InChIKey ASPNGUMSKAYHSW-HMTTWLPMSA-N
Molecular Weight 383.401 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(N=C(C=C1)NC(=O)CCC)=O)[H])(COC(=O)CCC)[H])[H]
SPLASH splash10-03kf-9600000000-99eaa990bc17ba67f104
Source of Spectrum J-58-660-12
Synonyms [(2R,3S,4R,5R)-5-[4-(butanoylamino)-2-oxo-pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl butanoate [(2R,3S,4R,5R)-5-[4-(butanoylamino)-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl butanoate Butanoic acid [(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(1-oxobutylamino)-1-pyrimidinyl]-2-oxolanyl]methyl ester
Wiley ID 1360999