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2'-Deoxycytidine monohydrate

View entire compound with spectra: 2 NMR, and 2 FTIR

2'-Deoxycytidine monohydrate
SpectraBase Compound ID Hmz6ajYutez
InChI InChI=1S/C9H13N3O4.H2O/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H2/t5-,6+,8+;/m0./s1
InChIKey HXBGOHZLZCFWLH-OERIEOFYSA-N
Mol Weight 243.22 g/mol
Molecular Formula C9H13N3O5
Exact Mass 243.085521 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3qS9swtsPZ5
Name 2'-Deoxycytidine hydrate
Source of Sample Aldrich
Catalog Number 854980
CAS Registry Number 652157-52-3
Comments MW calculated on anhydrous base
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O4*xH2O
InChI InChI=1S/C9H13N3O4.H2O/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H2/t5-,6+,8+;/m0./s1
InChIKey HXBGOHZLZCFWLH-OERIEOFYSA-N
Purity >=99% (HPLC)
Synonyms 2'-Deoxycytidine monohydrate 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Wiley ID SIAL_ATR-IR_021975