adeninide anion
- Formula: C5H4N5-
- Molecular weight: 134.1193
- IUPAC Standard InChI: InChI=1S/C5H4N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H2-,6,7,8,9,10)/q-1
- IUPAC Standard InChIKey: WEENTLLEQNJREA-UHFFFAOYSA-N
- Chemical structure:
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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 compiled by: John E. Bartmess
Protonation reactions
+
=
By formula: C5H4N5- + H+ = C5H5N5
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 335.1 ± 2.2 | kcal/mol | G+TS | Sharma and Lee, 2002 | gas phase; Acidity at N-9(imidazole N) |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 328.0 ± 2.0 | kcal/mol | IMRB | Sharma and Lee, 2002 | gas phase; Acidity at N-9(imidazole N) |
| ΔrG° | 344.3 ± 4.0 | kcal/mol | IMRB | Sharma and Lee, 2002 | gas phase; Less acidic N-10 site(aniline) |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sharma and Lee, 2002
Sharma, S.; Lee, J.K.,
Acidity of adenine and adenine derivatives and biological implications. A computational and experimental gas-phase study,
J. Org. Chem., 2002, 67, 24, 8360-8365, https://doi.org/10.1021/jo0204303
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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