Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C6H8O7.Ca.6Fe.4Na.4O.8HO.10H2O |
Molecular Weight | 1231.563 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O--].[O--].[O--].[O--].[Na+].[Na+].[Na+].[Na+].[Ca++].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].OC[C@@H]([O-])[C@@H]([O-])[C@H]([O-])[C@@H](O)C([O-])=O.OC[C@@H]([O-])[C@@H]([O-])[C@H]([O-])[C@@H](O)C([O-])=O
InChI
InChIKey=CIPUKWQHNJXHCL-LRYPATBYSA-D
InChI=1S/2C6H9O7.Ca.6Fe.4Na.18H2O.4O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-5,7,11H,1H2,(H,12,13);;;;;;;;;;;;18*1H2;;;;/q2*-3;+2;6*+3;4*+1;;;;;;;;;;;;;;;;;;;4*-2/p-10/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11................................./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 | 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 | Fe |
Molecular Weight | 55.845 |
Charge | 3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C6H11O7 |
Molecular Weight | 195.1473 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:04:15 GMT 2023
by
admin
on
Sat Dec 16 16:04:15 GMT 2023
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Record UNII |
U7G9U9300W
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Record Status |
Validated (UNII)
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Record Version |
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-
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34150-62-4
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100000081594
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SUB06057MIG
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76965768
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3367
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U7G9U9300W
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2619162
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admin on Sat Dec 16 16:04:16 GMT 2023 , Edited by admin on Sat Dec 16 16:04:16 GMT 2023
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C171766
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admin on Sat Dec 16 16:04:16 GMT 2023 , Edited by admin on Sat Dec 16 16:04:16 GMT 2023
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m187
Created by
admin on Sat Dec 16 16:04:16 GMT 2023 , Edited by admin on Sat Dec 16 16:04:16 GMT 2023
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PRIMARY | Merck Index | ||
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U7G9U9300W
Created by
admin on Sat Dec 16 16:04:16 GMT 2023 , Edited by admin on Sat Dec 16 16:04:16 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |