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2-Propenoic acid, 3-[1,2,3,4-tetrahydro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-5-pyrimidinyl]-, ethyl ester, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-
SpectraBase Compound ID 5Nm7c4pQsZJ
InChI InChI=1S/C15H20N2O6/c1-2-23-13(20)4-3-9-7-17(15(22)16-14(9)21)11-5-10(8-18)12(19)6-11/h3-4,7,10-12,18-19H,2,5-6,8H2,1H3,(H,16,21,22)/b4-3+/t10-,11+,12+/m1/s1
InChIKey RVSHRKFVPSPJNC-QCQCZYOXSA-N
Mol Weight 324.33 g/mol
Molecular Formula C15H20N2O6
Exact Mass 324.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXlEm9aE36e
Name 2-Propenoic acid, 3-[1,2,3,4-tetrahydro-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-5-pyrimidinyl]-, ethyl ester, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-
CAS Registry Number 91661-14-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O6
InChI InChI=1S/C15H20N2O6/c1-2-23-13(20)4-3-9-7-17(15(22)16-14(9)21)11-5-10(8-18)12(19)6-11/h3-4,7,10-12,18-19H,2,5-6,8H2,1H3,(H,16,21,22)/b4-3+/t10-,11+,12+/m1/s1
InChIKey RVSHRKFVPSPJNC-QCQCZYOXSA-N
Molecular Weight 324.333 g/mol
SMILES N1C(C(=CN([C@]2(C[C@](CO)([C@](C2)(O)[H])[H])[H])C1=O)\C=C\C(=O)OCC)=O
SPLASH splash10-00kr-0900000000-1ec5b81becaa1e14f6f8
Source of Spectrum KC-1986-403-23
Synonyms Ethyl (2E)-3-{1-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl}-2-propenoate Ethyl-(E)-3-{1,2,3,4-tetrahydro-1-[3.alpha.-hydroxy-4.beta.-(hydroxymethyl)cyclopentan-1-yl[-2,4-dioxopyrimidin-5-yl}propenoate
Wiley ID 1322948