H2N-(COCHMeNH)3-COCH(NH2)CH2S- [CysAla3NH2]
- Formula: C12H22N5O4S
- Molecular weight: 332.399
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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
C12H22N5O4S + = C12H23N5O4S
By formula: C12H22N5O4S + H+ = C12H23N5O4S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 319.3 ± 3.0 | kcal/mol | CIDC | Ren, Tan, et al., 2009 | gas phase; acid:H2N-Cys-(Ala)2-CHMeCONH2 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 316.3 ± 3.1 | kcal/mol | H-TS | Ren, Tan, et al., 2009 | gas phase; acid:H2N-Cys-(Ala)2-CHMeCONH2 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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
C12H22N5O4S + = C12H23N5O4S
By formula: C12H22N5O4S + H+ = C12H23N5O4S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 319.3 ± 3.0 | kcal/mol | CIDC | Ren, Tan, et al., 2009 | gas phase; acid:H2N-Cys-(Ala)2-CHMeCONH2 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 316.3 ± 3.1 | kcal/mol | H-TS | Ren, Tan, et al., 2009 | gas phase; acid:H2N-Cys-(Ala)2-CHMeCONH2 |
References
Go To: Top, Reaction thermochemistry data, 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.
Ren, Tan, et al., 2009
Ren, J.H.; Tan, J.P.; Harper, R.T.,
Gas-Phase Acidities of Cysteine-Polyalanine Peptides I: A(3,4)CSH and HSCA(3,4),
J. Phys. Chem. A, 2009, 113, 41, 10903-10912, https://doi.org/10.1021/jp903594a
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, 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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