| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C7H13O8.Ca.7H2O |
| Molecular Weight | 616.532 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.[Ca++].OC[C@@H](O)[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@@H](O)C([O-])=O
InChI
InChIKey=FPIKCHCFFWZADQ-WJNYBXGUSA-L
InChI=1S/2C7H14O8.Ca.7H2O/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;;;;;;/h2*2-6,8-13H,1H2,(H,14,15);;7*1H2/q;;+2;;;;;;;/p-2/t2*2-,3-,4+,5-,6-;;;;;;;;/m11......../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
MOL RATIO
7 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C7H13O8 |
| Molecular Weight | 225.1733 |
| Charge | -1 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
