U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C3H9S.C3H5NO5P.2H
Molecular Weight 245.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLYPHOSATE-TRIMESIUM

SMILES

[H+].[H+].C[S+](C)C.[O-]C(=O)CNCP([O-])([O-])=O

InChI

InChIKey=RUCAXVJJQQJZGU-UHFFFAOYSA-M
InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C3H9S
Molecular Weight 77.169
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H7NO5P
Molecular Weight 168.0651
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
93B42P85LG
Record Status Validated (UNII)
Record Version