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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO19S3
Molecular Weight 591.496
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL-O-(4-DEOXY-2-O-SULFO-L-THREO-HEX-4-ENOPYRANOSYL)-(14)-O-(2-DEOXY-6-O-SULFO-2-SULFAMINO-D GLUCOPYRANOSIDE)

SMILES

[H][C@@]2(O[C@@H]1[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](NS(O)(=O)=O)[C@H]1O)OC(=C[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O

InChI

InChIKey=HPUMYNPDVQFLGD-WZMUQGNUSA-N
InChI=1S/C13H21NO19S3/c1-28-12-7(14-34(19,20)21)8(16)10(6(31-12)3-29-35(22,23)24)32-13-9(33-36(25,26)27)4(15)2-5(30-13)11(17)18/h2,4,6-10,12-16H,3H2,1H3,(H,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)/t4-,6+,7+,8+,9+,10+,12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H21NO19S3
Molecular Weight 591.496
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:45:37 GMT 2023
Edited
by admin
on Sat Dec 16 14:45:37 GMT 2023
Record UNII
3S9ZQK69SK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-O-(4-DEOXY-2-O-SULFO-L-THREO-HEX-4-ENOPYRANOSYL)-(14)-O-(2-DEOXY-6-O-SULFO-2-SULFAMINO-D GLUCOPYRANOSIDE)
Systematic Name English
.ALPHA.-D-GLUCOPYRANOSIDE, METHYL 2-DEOXY-4-O-(4-DEOXY-2-O-SULFO-.ALPHA.-L-THREO-HEX-4-ENOPYRANURONOSYL)-2-(SULFOAMINO)-, 6-(HYDROGEN SULFATE)
Systematic Name English
Code System Code Type Description
FDA UNII
3S9ZQK69SK
Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023
PRIMARY
CAS
348625-84-3
Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023
PRIMARY
PUBCHEM
131878231
Created by admin on Sat Dec 16 14:45:37 GMT 2023 , Edited by admin on Sat Dec 16 14:45:37 GMT 2023
PRIMARY