Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | 4C6H11O7.6C3H5O3.5Ca |
| Molecular Weight | 1515.399 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 22 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.CC(O)C([O-])=O.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.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=SKFJKZHRPGEDGP-WUQPKBQTSA-D
InChI=1S/4C6H12O7.6C3H6O3.5Ca/c4*7-1-2(8)3(9)4(10)5(11)6(12)13;6*1-2(4)3(5)6;;;;;/h4*2-5,7-11H,1H2,(H,12,13);6*2,4H,1H3,(H,5,6);;;;;/q;;;;;;;;;;5*+2/p-10/t4*2-,3-,4+,5-;;;;;;;;;;;/m1111.........../s1
| Molecular Formula | C6H11O7 |
| Molecular Weight | 195.1473 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C3H5O3 |
| Molecular Weight | 89.07 |
| Charge | -1 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:25:40 UTC 2023
by
admin
on
Fri Dec 15 15:25:40 UTC 2023
|
| Record UNII |
1VUQ647164
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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100000090512
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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PRIMARY | |||
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11116-97-5
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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76963631
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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PRIMARY | |||
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1VUQ647164
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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PRIMARY | |||
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DTXSID50966445
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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PRIMARY | |||
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52080-72-5
Created by
admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
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NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SOLVATE->ANHYDROUS |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |