Details
Stereochemistry | MIXED |
Molecular Formula | 3C10H13NO5.2H2O |
Molecular Weight | 717.6723 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 0 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.COC1=C(O)C=C(CC(N)C(O)=O)C=C1O.COC2=C(O)C=C(CC(N)C(O)=O)C=C2O.COC3=C(O)C=C(CC(N)C(O)=O)C=C3O
InChI
InChIKey=BSYAPKROJDOQJH-UHFFFAOYSA-N
InChI=1S/3C10H13NO5.2H2O/c3*1-16-9-7(12)3-5(4-8(9)13)2-6(11)10(14)15;;/h3*3-4,6,12-13H,2,11H2,1H3,(H,14,15);2*1H2
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 | C10H13NO5 |
Molecular Weight | 227.2139 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:36:48 GMT 2023
by
admin
on
Fri Dec 15 15:36:48 GMT 2023
|
Record UNII |
F3LJ1K2O96
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Record Status |
Validated (UNII)
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Record Version |
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-
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135390748
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23277-51-2
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admin on Fri Dec 15 15:36:48 GMT 2023 , Edited by admin on Fri Dec 15 15:36:48 GMT 2023
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DTXSID50274931
Created by
admin on Fri Dec 15 15:36:48 GMT 2023 , Edited by admin on Fri Dec 15 15:36:48 GMT 2023
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F3LJ1K2O96
Created by
admin on Fri Dec 15 15:36:48 GMT 2023 , Edited by admin on Fri Dec 15 15:36:48 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |