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Details

Stereochemistry RACEMIC
Molecular Formula C5H12O3
Molecular Weight 120.147
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,5-Pentanetriol

SMILES

OCCCC(O)CO

InChI

InChIKey=WEAYWASEBDOLRG-UHFFFAOYSA-N
InChI=1S/C5H12O3/c6-3-1-2-5(8)4-7/h5-8H,1-4H2

HIDE SMILES / InChI

Molecular Formula C5H12O3
Molecular Weight 120.147
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:30:34 GMT 2023
Edited
by admin
on Sat Dec 16 11:30:34 GMT 2023
Record UNII
H8PYY84FFG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,5-Pentanetriol
Systematic Name English
J227.150H
Code English
(±)-1,2,5-Pentanetriol
Systematic Name English
dl-1,2,5-Pentanetriol
Systematic Name English
1,4,5-Pentanetriol
Systematic Name English
Pentan-1,2,5-triol
Systematic Name English
NSC-44963
Code English
Code System Code Type Description
PUBCHEM
85763
Created by admin on Sat Dec 16 11:30:34 GMT 2023 , Edited by admin on Sat Dec 16 11:30:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
238-747-1
Created by admin on Sat Dec 16 11:30:34 GMT 2023 , Edited by admin on Sat Dec 16 11:30:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID901030714
Created by admin on Sat Dec 16 11:30:34 GMT 2023 , Edited by admin on Sat Dec 16 11:30:34 GMT 2023
PRIMARY
NSC
44963
Created by admin on Sat Dec 16 11:30:34 GMT 2023 , Edited by admin on Sat Dec 16 11:30:34 GMT 2023
PRIMARY
FDA UNII
H8PYY84FFG
Created by admin on Sat Dec 16 11:30:34 GMT 2023 , Edited by admin on Sat Dec 16 11:30:34 GMT 2023
PRIMARY
CAS
14697-46-2
Created by admin on Sat Dec 16 11:30:34 GMT 2023 , Edited by admin on Sat Dec 16 11:30:34 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE