Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C6H5O7.3C4H4O5.6Ca.6H2O |
| Molecular Weight | 1122.974 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
InChI
InChIKey=FIMXXQGNZLGRCQ-UHFFFAOYSA-B
InChI=1S/2C6H8O7.3C4H6O5.6Ca.6H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*5-2(4(8)9)1-3(6)7;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*2,5H,1H2,(H,6,7)(H,8,9);;;;;;;6*1H2/q;;;;;6*+2;;;;;;/p-12
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C4H4O5 |
| Molecular Weight | 132.0716 |
| Charge | -2 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C6H5O7 |
| Molecular Weight | 189.0997 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:48:35 GMT 2023
by
admin
on
Sat Dec 16 02:48:35 GMT 2023
|
| Record UNII |
4BBS3A53GJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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Created by
admin on Sat Dec 16 02:48:35 GMT 2023 , Edited by admin on Sat Dec 16 02:48:35 GMT 2023
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100000136801
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156596391
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