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Cytidine, anhydrous
SpectraBase Compound ID 53fXPXbJtZg
InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKey UHDGCWIWMRVCDJ-XVFCMESISA-N
Mol Weight 243.22 g/mol
Molecular Formula C9H13N3O5
Exact Mass 243.085521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6C4eBL9UdDi
Name Cytidine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 4395-95-3 65-46-3
ChEBI ID 17562
Comments 100 mM Cytidine Free Base - vendor: MP Biomedicals 194651; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9H13N3O5
IUPAC Name 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
InChI InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKey UHDGCWIWMRVCDJ-XVFCMESISA-N
KEGG Compound ID C00475
KEGG Pathways PATH: map00240 Pyrimidine metabolism
PubChem Compound ID 6175
SMILES C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
Source File Reference bmse000190