Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C6H11O7.Ca.H2O |
| Molecular Weight | 448.388 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Ca++].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=XLNFVCRGJZBQGX-XRDLMGPZSA-L
InChI=1S/2C6H12O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1
Approval Year
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DBSALT001520
Created by
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23724989
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CZN0MI5R31
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admin on Fri Dec 15 17:06:06 UTC 2023 , Edited by admin on Fri Dec 15 17:06:06 UTC 2023
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1086833
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DTXSID2047226
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admin on Fri Dec 15 17:06:06 UTC 2023 , Edited by admin on Fri Dec 15 17:06:06 UTC 2023
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1298846
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admin on Fri Dec 15 17:06:06 UTC 2023 , Edited by admin on Fri Dec 15 17:06:06 UTC 2023
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CZN0MI5R31
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admin on Fri Dec 15 17:06:06 UTC 2023 , Edited by admin on Fri Dec 15 17:06:06 UTC 2023
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SUB33164
Created by
admin on Fri Dec 15 17:06:06 UTC 2023 , Edited by admin on Fri Dec 15 17:06:06 UTC 2023
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66905-23-5
Created by
admin on Fri Dec 15 17:06:06 UTC 2023 , Edited by admin on Fri Dec 15 17:06:06 UTC 2023
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD