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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O12.2H2O
Molecular Weight 312.1828
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DODECAHYDROXYCYCLOHEXANE DIHYDRATE

SMILES

O.O.OC1(O)C(O)(O)C(O)(O)C(O)(O)C(O)(O)C1(O)O

InChI

InChIKey=DALWSVFJYAILQH-UHFFFAOYSA-N
InChI=1S/C6H12O12.2H2O/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12;;/h7-18H;2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H12O12
Molecular Weight 276.1523
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:49:12 GMT 2025
Edited
by admin
on Mon Mar 31 18:49:12 GMT 2025
Record UNII
5BWD2J7B4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIQUINONYL, OCTAHYDRATE
Preferred Name English
DODECAHYDROXYCYCLOHEXANE DIHYDRATE
Systematic Name English
CYCLOHEXANEHEXONE OCTAHYDRATE
Systematic Name English
CYCLOHEXANEDODECOL, DIHYDRATE
Systematic Name English
1,1,2,2,3,3,4,4,5,5,6,6-CYCLOHEXANEDODECOL, HYDRATE (1:2)
Systematic Name English
TRIQUINOYL OCTAHYDRATE
Common Name English
HEXAKETOCYCLOHEXANE OCTAHYDRATE
Systematic Name English
Code System Code Type Description
PUBCHEM
71586972
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID70161036
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
RXCUI
1313337
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY RxNorm
FDA UNII
5BWD2J7B4W
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
CAS
13941-78-1
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
DAILYMED
5BWD2J7B4W
Created by admin on Mon Mar 31 18:49:12 GMT 2025 , Edited by admin on Mon Mar 31 18:49:12 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY