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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H20F3NO4
Molecular Weight 287.276
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5,5,5-TRIFPENTYL)DNJ

SMILES

OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCC(F)(F)F

InChI

InChIKey=PJYPZTVAKFXTBQ-UTINFBMNSA-N
InChI=1S/C11H20F3NO4/c12-11(13,14)3-1-2-4-15-5-8(17)10(19)9(18)7(15)6-16/h7-10,16-19H,1-6H2/t7-,8+,9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H20F3NO4
Molecular Weight 287.276
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:56 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:56 GMT 2023
Record UNII
MKN5LY5VZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5,5,5-TRIFPENTYL)DNJ
Common Name English
3,4,5-PIPERIDINETRIOL, 2-(HYDROXYMETHYL)-1-(5,5,5-TRIFLUOROPENTYL)-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.,5.BETA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
16727512
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY
CAS
128985-17-1
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY
FDA UNII
MKN5LY5VZG
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90926265
Created by admin on Sat Dec 16 10:32:56 GMT 2023 , Edited by admin on Sat Dec 16 10:32:56 GMT 2023
PRIMARY