For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodo-3-[(3-iodophenyl)methyl]pyrimidine-2,4-dione

View entire compound with spectra: 1 MS (GC)

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodo-3-[(3-iodophenyl)methyl]pyrimidine-2,4-dione
SpectraBase Compound ID JaPhyAOtjnv
InChI InChI=1S/C16H16I2N2O5/c17-10-3-1-2-9(4-10)6-20-15(23)11(18)7-19(16(20)24)14-5-12(22)13(8-21)25-14/h1-4,7,12-14,21-22H,5-6,8H2/t12-,13+,14+/m0/s1
InChIKey XWYCENTYGARXLG-BFHYXJOUSA-N
Mol Weight 570.12 g/mol
Molecular Formula C16H16I2N2O5
Exact Mass 569.914862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LTgCAUdJcO0
Name 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodo-3-[(3-iodophenyl)methyl]pyrimidine-2,4-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16I2N2O5
InChI InChI=1S/C16H16I2N2O5/c17-10-3-1-2-9(4-10)6-20-15(23)11(18)7-19(16(20)24)14-5-12(22)13(8-21)25-14/h1-4,7,12-14,21-22H,5-6,8H2/t12-,13+,14+/m0/s1
InChIKey XWYCENTYGARXLG-BFHYXJOUSA-N
Molecular Weight 570.122 g/mol
SMILES OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C(N(C(C(=C1)I)=O)Cc1cc(I)ccc1)=O)[H])[H]
SPLASH splash10-0udi-0000900000-1438fe2c9567c2750c5f
Source of Spectrum J-66-3612-0
Synonyms 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-3-[(3-iodophenyl)methyl]pyrimidine-2,4-dione 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-3-[(3-iodophenyl)methyl]pyrimidine-2,4-dione 1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-iodo-3-(3-iodobenzyl)pyrimidine-2,4-quinone 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-3-[(3-iodanylphenyl)methyl]pyrimidine-2,4-dione
Wiley ID 1535765