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

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-HEXANEDIOL, (2S,5S)-

SMILES

C[C@H](O)CC[C@H](C)O

InChI

InChIKey=OHMBHFSEKCCCBW-WDSKDSINSA-N
InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H14O2
Molecular Weight 118.1742
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:11 GMT 2023
Edited
by admin
on Sat Dec 16 18:43:11 GMT 2023
Record UNII
Z2YQ77RD3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-HEXANEDIOL, (2S,5S)-
Systematic Name English
(2S,5S)-HEXANE-2,5-DIOL
Systematic Name English
2,5-HEXANEDIOL, (S-(R*,R*))-
Systematic Name English
(2S,5S)-(+)-2,5-HEXANEDIOL
Systematic Name English
(S,S)-2,5-HEXANEDIOL
Systematic Name English
L-THREO-HEXITOL, 1,3,4,6-TETRADEOXY-
Systematic Name English
(2S,5S)-2,5-HEXANEDIOL
Systematic Name English
(+)-2,5-HEXANEDIOL
Systematic Name English
(2S,5S)-HEXANEDIOL
Common Name English
(2S,5S)-(+)-HEXANEDIOL
Common Name English
Code System Code Type Description
FDA UNII
Z2YQ77RD3A
Created by admin on Sat Dec 16 18:43:12 GMT 2023 , Edited by admin on Sat Dec 16 18:43:12 GMT 2023
PRIMARY
CAS
34338-96-0
Created by admin on Sat Dec 16 18:43:12 GMT 2023 , Edited by admin on Sat Dec 16 18:43:12 GMT 2023
PRIMARY
PUBCHEM
6950288
Created by admin on Sat Dec 16 18:43:12 GMT 2023 , Edited by admin on Sat Dec 16 18:43:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID10426191
Created by admin on Sat Dec 16 18:43:12 GMT 2023 , Edited by admin on Sat Dec 16 18:43:12 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER