Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C7H13O8.Ca.H2O |
| Molecular Weight | 508.44 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| 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@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=RXVYOIITMRFTIS-QTXXLGFDSA-L
InChI=1S/2C7H14O8.Ca.H2O/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);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-,6+;;/m11../s1
| 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 | C7H13O8 |
| Molecular Weight | 225.1733 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:25:58 UTC 2023
by
admin
on
Fri Dec 15 16:25:58 UTC 2023
|
| Record UNII |
NQL799896A
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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NQL799896A
Created by
admin on Fri Dec 15 16:25:58 UTC 2023 , Edited by admin on Fri Dec 15 16:25:58 UTC 2023
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PRIMARY | |||
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131634221
Created by
admin on Fri Dec 15 16:25:58 UTC 2023 , Edited by admin on Fri Dec 15 16:25:58 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
