SINIGRIN TETRAACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H24NO13S2.K
Molecular Weight	565.61
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].CC(=O)OC[C@H]1O[C@@H](S\C(CC=C)=N/OS([O-])(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI

InChIKey=UFBFCBHKNZAPPA-IZTZUDJTSA-M

InChI=1S/C18H25NO13S2.K/c1-6-7-14(19-32-34(24,25)26)33-18-17(30-12(5)23)16(29-11(4)22)15(28-10(3)21)13(31-18)8-27-9(2)20;/h6,13,15-18H,1,7-8H2,2-5H3,(H,24,25,26);/q;+1/p-1/b19-14-;/t13-,15-,16+,17-,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H24NO13S2
Molecular Weight	526.512
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	K
Molecular Weight	39.0983
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 `Mon Mar 31 23:19:56 GMT 2025` Edited by `admin` on `Mon Mar 31 23:19:56 GMT 2025`
Record UNII	747NS44WUV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SINIGRIN TETRAACETATE

Common Name

English

SINIGRIN TETRAACETATE [MI]

Preferred Name

English

.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 2,3,4,6-TETRAACETATE 1-(N-(SULFOOXY)-3-BUTENIMIDATE), POTASSIUM SALT

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m9953

Created by admin on Mon Mar 31 23:19:56 GMT 2025 , Edited by admin on Mon Mar 31 23:19:56 GMT 2025

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FDA UNII

747NS44WUV

Created by admin on Mon Mar 31 23:19:56 GMT 2025 , Edited by admin on Mon Mar 31 23:19:56 GMT 2025

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CAS

5019-27-2

Created by admin on Mon Mar 31 23:19:56 GMT 2025 , Edited by admin on Mon Mar 31 23:19:56 GMT 2025

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PUBCHEM

119025625

Created by admin on Mon Mar 31 23:19:56 GMT 2025 , Edited by admin on Mon Mar 31 23:19:56 GMT 2025

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