| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C6H8O7.Ca.6Fe.4Na.4O.8HO.10H2O |
| Molecular Weight | 1231.563 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O--].[O--].[O--].[O--].[Na+].[Na+].[Na+].[Na+].[Ca++].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].OC[C@@H]([O-])[C@@H]([O-])[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H]([O-])[C@@H]([O-])[C@H]([O-])[C@@H](O)C([O-])=O
InChI
InChIKey=CIPUKWQHNJXHCL-LRYPATBYSA-D
InChI=1S/2C6H9O7.Ca.6Fe.4Na.18H2O.4O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-5,7,11H,1H2,(H,12,13);;;;;;;;;;;;18*1H2;;;;/q2*-3;+2;6*+3;4*+1;;;;;;;;;;;;;;;;;;;4*-2/p-10/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11................................./s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
MOL RATIO
4 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 3 |
| Count |
MOL RATIO
6 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
MOL RATIO
22 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H11O7 |
| Molecular Weight | 195.1473 |
| Charge | -1 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
|
|
PARENT -> SALT/SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
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