Deoxycytidine

• Formula: C₉H₁₃N₃O₄
• Molecular weight: 227.2172
• IUPAC Standard InChI: InChI=1S/C9H13N3O4/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) Copy

  
• IUPAC Standard InChIKey: CKTSBUTUHBMZGZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 951-77-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Cytidine, 2'-deoxy-; Cytosine deoxyribonucleoside; Cytosine deoxyriboside; Cytosine, 1-(2-deoxy-β-D-erythro-pentofuranosyl)-; Deoxyribose cytidine; 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl)-; 2'-Deoxycytidine; dCYD; Desoxycytidine
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

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Individual Reactions

C₉H₁₂N₃O₄^- +  =

By formula: C₉H₁₂N₃O₄^- + H⁺ = C₉H₁₃N₃O₄

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess

Electron affinity determinations

De-protonation reactions

C₉H₁₂N₃O₄^- +  =

By formula: C₉H₁₂N₃O₄^- + H⁺ = C₉H₁₃N₃O₄

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kumari, Devi, et al., 2010
Kumari, S.; Devi, C.L.; Prabhakar, S.; Bhanuprakash, K.; Vairaman, M., Estimation of Gas-Phase Acidities of Deoxyribonucleosides: An Experimental and Theoretical Study, J. Am. Soc. Mass Spectrom., 2010, 21, 1, 136-143, https://doi.org/10.1016/j.jasms.2009.09.019 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Stokes, Li, et al., 2007
Stokes, S.T.; Li, X.; Grubisic, A.; Ko, Y.J.; Bowen, K.H., Intrinsic electrophilic properties of nucleosides: Photoelectron spectroscopy of their parent anions, J. Chem. Phys., 2007, 127, 8, 084321, https://doi.org/10.1063/1.2774985 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  EA	Electron affinity
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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