U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H16NO6P
Molecular Weight 253.1895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (Z)-Dimethyl 3-[(methoxymethyl)amino]-1-methyl-3-oxo-1-propenyl phosphorate

SMILES

COCNC(=O)\C=C(\C)OP(=O)(OC)OC

InChI

InChIKey=QCHGSZOBELCOTC-ALCCZGGFSA-N
InChI=1S/C8H16NO6P/c1-7(5-8(10)9-6-12-2)15-16(11,13-3)14-4/h5H,6H2,1-4H3,(H,9,10)/b7-5-

HIDE SMILES / InChI

Molecular Formula C8H16NO6P
Molecular Weight 253.1895
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:27:09 GMT 2025
Edited
by admin
on Mon Mar 31 22:27:09 GMT 2025
Record UNII
F8H7VT7QNJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phosphoric acid, (1Z)-3-[(methoxymethyl)amino]-1-methyl-3-oxo-1-propenyl dimethyl ester
Preferred Name English
(Z)-Dimethyl 3-[(methoxymethyl)amino]-1-methyl-3-oxo-1-propenyl phosphorate
Systematic Name English
Phosphoric acid, 3-[(methoxymethyl)amino]-1-methyl-3-oxo-1-propenyl dimethyl ester, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
F8H7VT7QNJ
Created by admin on Mon Mar 31 22:27:09 GMT 2025 , Edited by admin on Mon Mar 31 22:27:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID6058263
Created by admin on Mon Mar 31 22:27:09 GMT 2025 , Edited by admin on Mon Mar 31 22:27:09 GMT 2025
PRIMARY
PUBCHEM
121232780
Created by admin on Mon Mar 31 22:27:09 GMT 2025 , Edited by admin on Mon Mar 31 22:27:09 GMT 2025
PRIMARY
CAS
69632-93-5
Created by admin on Mon Mar 31 22:27:09 GMT 2025 , Edited by admin on Mon Mar 31 22:27:09 GMT 2025
PRIMARY