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 | C13H21N2O11S2 |
Molecular Weight | 445.443 |
Charge | -1 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 16:52:37 GMT 2023
by
admin
on
Fri Dec 15 16:52:37 GMT 2023
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Record UNII |
X40L29981F
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29739
Created by
admin on Fri Dec 15 16:52:37 GMT 2023 , Edited by admin on Fri Dec 15 16:52:37 GMT 2023
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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
Created by
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