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1,6-Dihydro-5-formyl-2-methylthio-4-(2,3,4-tri-O-acetyl-.beta.-D-xylopyranosylamino)-1H-pyrimidin-6-one
SpectraBase Compound ID ELivc5Ec4cN
InChI InChI=1S/C17H21N3O9S/c1-7(22)27-11-6-26-16(13(29-9(3)24)12(11)28-8(2)23)18-14-10(5-21)15(25)20-17(19-14)30-4/h5,11-13,16H,6H2,1-4H3,(H2,18,19,20,25)/t11-,12+,13-,16-/m1/s1
InChIKey ADACZSUCPQRGNU-OQMKEHIESA-N
Mol Weight 443.43 g/mol
Molecular Formula C17H21N3O9S
Exact Mass 443.09985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZjzgUgMhk
Name 1,6-Dihydro-5-formyl-2-methylthio-4-(2,3,4-tri-O-acetyl-.beta.-D-xylopyranosylamino)-1H-pyrimidin-6-one
CAS Registry Number 117779-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O9S
InChI InChI=1S/C17H21N3O9S/c1-7(22)27-11-6-26-16(13(29-9(3)24)12(11)28-8(2)23)18-14-10(5-21)15(25)20-17(19-14)30-4/h5,11-13,16H,6H2,1-4H3,(H2,18,19,20,25)/t11-,12+,13-,16-/m1/s1
InChIKey ADACZSUCPQRGNU-OQMKEHIESA-N
Molecular Weight 443.427 g/mol
SMILES N1C(=NC(=C(C1=O)C=O)N[C@]1([C@@]([C@@](OC(=O)C)([C@@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])SC
SPLASH splash10-0c09-2793000000-33c589068ff915d8d266
Source of Spectrum Y4-86-279-1
Synonyms 2,3,4-Tri-O-acetyl-N-[5-formyl-2-(methylsulfanyl)-6-oxo-1,6-dihydro-4-pyrimidinyl]pentopyranosylamine Acetic acid [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[5-formyl-2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]amino]-3-oxanyl] ester [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[(5-formyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)amino]oxan-3-yl] acetate [(3R,4S,5R,6R)-4,5-diacetoxy-6-[(5-formyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)amino]tetrahydropyran-3-yl] acetate [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[(5-methanoyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)amino]oxan-3-yl] ethanoate
Wiley ID 1550221