Histidine
- Formula: C6H9N3O2
- Molecular weight: 155.1546
- IUPAC Standard InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
- IUPAC Standard InChIKey: HNDVDQJCIGZPNO-RXMQYKEDSA-N
- CAS Registry Number: 71-00-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: L-Histidine; Histidine, L-; Glyoxaline-5-alanine; L-(-)-Histidine; 1H-Imidazole-4-propanoic acid, α-amino-, (S)-; 4-(2-Amino-2-carboxyethyl)imidazole; Anti-rheuma
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Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C6H8N3O2- + =
By formula: C6H8N3O2- + H+ = C6H9N3O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 328.6 ± 1.9 | kcal/mol | CIDC | Jones, Bernier, et al., 2007 | gas phase; B |
| ΔrH° | 331.0 ± 3.1 | kcal/mol | G+TS | O'Hair, Bowie, et al., 1992 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 324.1 ± 3.0 | kcal/mol | CIDC | O'Hair, Bowie, et al., 1992 | gas phase; B |
+
= (
•
)
By formula: Na+ + C6H9N3O2 = (Na+ • C6H9N3O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 52.3 | kcal/mol | CIDC | Kish, Ohanessian, et al., 2003 | Anchor alanine=39.89; RCD |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jones, Bernier, et al., 2007
Jones, C.M.; Bernier, M.; Carson, E.; Colyer, K.E.; Metz, R.; Pawlow, A.; Wischow, E.D.; Webb, I.; Andriole, E.J.; Poutsma, J.C.,
Gas-phase Acities of the 20 Protein Amino Acids,
Int. J. Mass Spectrom., 2007, 267, 1-3, 54-62, https://doi.org/10.1016/j.ijms.2007.02.018
. [all data]
O'Hair, Bowie, et al., 1992
O'Hair, R.J.; Bowie, J.H.; Gronert, S.,
Gas Phase Acidity of the alpha-Amino Acids,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 23, https://doi.org/10.1016/0168-1176(92)80083-D
. [all data]
Kish, Ohanessian, et al., 2003
Kish, M.M.; Ohanessian, G.; Wesdemiotis, C.,
The Na+ affinities of a-amino acids: side-chain substituent effects,
Int. J. Mass Spectrom., 2003, 227, 3, 509, https://doi.org/10.1016/S1387-3806(03)00082-4
. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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