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 |