Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C9H11N2O9P.2Na.4H2O |
Molecular Weight | 440.2061 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.[Na+].[Na+].OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=CC(=O)NC2=O
InChI
InChIKey=QHPWOHJINWCUMB-AVTKVCAJSA-L
InChI=1S/C9H13N2O9P.2Na.4H2O/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15;;;;;;/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18);;;4*1H2/q;2*+1;;;;/p-2/t4-,6-,7-,8-;;;;;;/m1....../s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
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 | C9H11N2O9P |
Molecular Weight | 322.1654 |
Charge | -2 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:05:45 GMT 2023
by
admin
on
Sat Dec 16 12:05:45 GMT 2023
|
Record UNII |
E78J377EZ6
|
Record Status |
Validated (UNII)
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Record Version |
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-
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E78J377EZ6
Created by
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121596582
Created by
admin on Sat Dec 16 12:05:45 GMT 2023 , Edited by admin on Sat Dec 16 12:05:45 GMT 2023
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36351-26-5
Created by
admin on Sat Dec 16 12:05:45 GMT 2023 , Edited by admin on Sat Dec 16 12:05:45 GMT 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |