Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C8H11NO4.H2O |
Molecular Weight | 203.1925 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[H][C@@]12CC[C@@](N)(C(O)=O)[C@]1([H])[C@H]2C(O)=O
InChI
InChIKey=XJPQOSJARVVBIU-PLFKSMQJSA-N
InChI=1S/C8H11NO4.H2O/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11;/h3-5H,1-2,9H2,(H,10,11)(H,12,13);1H2/t3-,4-,5-,8-;/m0./s1
Molecular Formula | C8H11NO4 |
Molecular Weight | 185.1772 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
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 15:29:39 UTC 2023
by
admin
on
Fri Dec 15 15:29:39 UTC 2023
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Record UNII |
3ZYA0RP5FA
|
Record Status |
Validated (UNII)
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Record Version |
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-
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3ZYA0RP5FA
Created by
admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
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156665
Created by
admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
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DTXSID40943184
Created by
admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
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209216-09-1
Created by
admin on Fri Dec 15 15:29:39 UTC 2023 , Edited by admin on Fri Dec 15 15:29:39 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |