Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C5H8NO4.C4H6NO4.2C3H6NO3.C2H5NO2.Ca.3H |
| Molecular Weight | 750.675 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H+].[H+].[Ca++].NCC(O)=O.N[C@@H](C[O-])C(O)=O.N[C@@H](C[O-])C(O)=O.N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CCC([O-])=O)C(O)=O.N[C@@H](CCC([O-])=O)C(O)=O
InChI
InChIKey=OHURLYOXEGNAPQ-SVKTWVQRSA-N
InChI=1S/2C5H9NO4.C4H7NO4.2C3H6NO3.C2H5NO2.Ca/c2*6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;2*4-2(1-5)3(6)7;3-1-2(4)5;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);2*2H,1,4H2,(H,6,7);1,3H2,(H,4,5);/q;;;2*-1;;+2/t2*3-;3*2-;;/m00000../s1
| Molecular Formula | C2H5NO2 |
| Molecular Weight | 75.0666 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | C5H8NO4 |
| Molecular Weight | 146.1213 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 | C3H6NO3 |
| Molecular Weight | 104.0846 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:47:02 GMT 2023
by
admin
on
Sat Dec 16 14:47:02 GMT 2023
|
| Record UNII |
UXI4BPS8AN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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UXI4BPS8AN
Created by
admin on Sat Dec 16 14:47:02 GMT 2023 , Edited by admin on Sat Dec 16 14:47:02 GMT 2023
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139593485
Created by
admin on Sat Dec 16 14:47:02 GMT 2023 , Edited by admin on Sat Dec 16 14:47:02 GMT 2023
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PRIMARY |