Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H20NO8S.Na.3H2O |
| Molecular Weight | 415.39 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[Na+].[H][C@@]12CO[C@@]3(COS([NH-])(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2
InChI
InChIKey=YQTVMHROQSPEAI-UMKYQQTESA-N
InChI=1S/C12H20NO8S.Na.3H2O/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12;;;;/h7-9H,5-6H2,1-4H3,(H-,13,14,15);;3*1H2/q-1;+1;;;/t7-,8-,9+,12+;;;;/m1..../s1
| Molecular Formula | C12H20NO8S |
| Molecular Weight | 338.354 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:56:37 UTC 2023
by
admin
on
Fri Dec 15 15:56:37 UTC 2023
|
| Record UNII |
3P5S0PG688
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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3P5S0PG688
Created by
admin on Fri Dec 15 15:56:37 UTC 2023 , Edited by admin on Fri Dec 15 15:56:37 UTC 2023
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72941832
Created by
admin on Fri Dec 15 15:56:37 UTC 2023 , Edited by admin on Fri Dec 15 15:56:37 UTC 2023
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516471-72-0
Created by
admin on Fri Dec 15 15:56:37 UTC 2023 , Edited by admin on Fri Dec 15 15:56:37 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ANHYDROUS->SOLVATE |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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