Cyanocobalamin
- Formula: C63H88CoN14O14P
- Molecular weight: 1355.3652
- IUPAC Standard InChI: InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2
- IUPAC Standard InChIKey: RMRCNWBMXRMIRW-UHFFFAOYSA-L
- CAS Registry Number: 68-19-9
- Chemical structure:
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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: José A. Martinho Simões
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Individual Reactions
C72H100CoN18O17P (solution) = (solution) +
(solution)
By formula: C72H100CoN18O17P (solution) = C63H88CoN14O14P (solution) + Al (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 30. ± 4. | kcal/mol | AVG | N/A | Average of 5 out of 6 values; Individual data points |
C63H91CoN13O14P (solution) = (solution) +
(solution)
By formula: C63H91CoN13O14P (solution) = C63H88CoN14O14P (solution) + CH4 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 37.0 ± 3.1 | kcal/mol | KinS | Martin and Finke, 1990 | solvent: Ethylene glycol; Please also see Martin and Finke, 1992. The reaction enthalpy relies on 41.0 ± 3.0 kcal/mol for the reaction activation enthalpy. The reaction refers to "base-on" cobalamine. |
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.
Martin and Finke, 1990
Martin, B.D.; Finke, R.G.,
J. Am. Chem. Soc., 1990, 112, 2419. [all data]
Martin and Finke, 1992
Martin, B.D.; Finke, R.G.,
J. Am. Chem. Soc., 1992, 114, 585. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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