Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C5H9NO4.Ca.4H2O |
Molecular Weight | 259.268 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 2 |
SHOW SMILES / InChI
SMILES
O.O.O.O.[Ca++].N[C@@H](CCC(O)=O)C(O)=O
InChI
InChIKey=IQKVLESJVVDHHA-NBINMXDDSA-N
InChI=1S/C5H9NO4.Ca.4H2O/c6-3(5(9)10)1-2-4(7)8;;;;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;4*1H2/q;+2;;;;/t3-;;;;;/m0...../s1
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 | 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 | C5H9NO4 |
Molecular Weight | 147.1293 |
Charge | 0 |
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
Fri Dec 15 15:15:04 UTC 2023
by
admin
on
Fri Dec 15 15:15:04 UTC 2023
|
Record UNII |
0I44892BAU
|
Record Status |
Validated (UNII)
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Record Version |
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-
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71587320
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SUB179539
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0I44892BAU
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86933-47-3
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100000164956
Created by
admin on Fri Dec 15 15:15:04 UTC 2023 , Edited by admin on Fri Dec 15 15:15:04 UTC 2023
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---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |