Details
| Stereochemistry | MIXED |
| Molecular Formula | C13H21N2O11S2.Na |
| Molecular Weight | 468.432 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].OCNS(=O)(=O)C1=CC=C(NC([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)S([O-])(=O)=O)C=C1
InChI
InChIKey=PKWKMKHLVNZNDO-RGMOJDGESA-M
InChI=1S/C13H22N2O11S2.Na/c16-5-9(18)10(19)11(20)12(21)13(28(24,25)26)15-7-1-3-8(4-2-7)27(22,23)14-6-17;/h1-4,9-21H,5-6H2,(H,24,25,26);/q;+1/p-1/t9-,10-,11+,12-,13?;/m0./s1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H21N2O11S2 |
| Molecular Weight | 445.443 |
| Charge | -1 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:37:23 GMT 2025
by
admin
on
Mon Mar 31 18:37:23 GMT 2025
|
| Record UNII |
X40L29981F
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C29739
Created by
admin on Mon Mar 31 18:37:23 GMT 2025 , Edited by admin on Mon Mar 31 18:37:23 GMT 2025
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C83733
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7007-76-3
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CHEMBL2111115
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SUB07938MIG
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1936
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DTXSID501024456
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100000084207
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118984366
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