Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 3C6H8N3O2.C4H6NO4.Mn.2H.H2O |
| Molecular Weight | 669.5038 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].O.[Mn++].N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC1=C[N-]C=N1)C(O)=O.N[C@@H](CC2=C[N-]C=N2)C(O)=O.N[C@@H](CC3=C[N-]C=N3)C(O)=O
InChI
InChIKey=PAWXXYKUYLMMPF-LLSJBMEYSA-L
InChI=1S/3C6H9N3O2.C4H7NO4.Mn.H2O/c3*7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7;;/h3*2-3,5H,1,7H2,(H2,8,9,10,11);2H,1,5H2,(H,6,7)(H,8,9);;1H2/q;;;;+2;/p-2/t3*5-;2-;;/m0000../s1
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| 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 | C4H6NO4 |
| Molecular Weight | 132.0947 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Mn |
| Molecular Weight | 54.938 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H8N3O2 |
| Molecular Weight | 154.1466 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:44:02 GMT 2023
by
admin
on
Sat Dec 16 14:44:02 GMT 2023
|
| Record UNII |
4TFD02X62W
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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4TFD02X62W
Created by
admin on Sat Dec 16 14:44:02 GMT 2023 , Edited by admin on Sat Dec 16 14:44:02 GMT 2023
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133082383
Created by
admin on Sat Dec 16 14:44:02 GMT 2023 , Edited by admin on Sat Dec 16 14:44:02 GMT 2023
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PRIMARY |