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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H10O5
Molecular Weight 174.1513
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINIC ACID .GAMMA.-LACTONE, (-)-

SMILES

O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O

InChI

InChIKey=QPJRIFFWEBJVFN-WYWMIBKRSA-N
InChI=1S/C7H10O5/c8-3-1-7(11)2-4(5(3)9)12-6(7)10/h3-5,8-9,11H,1-2H2/t3-,4-,5-,7+/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H10O5
Molecular Weight 174.1513
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 14:02:04 GMT 2023
Edited
by admin
on Sat Dec 16 14:02:04 GMT 2023
Record UNII
3WCU7C8534
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINIC ACID .GAMMA.-LACTONE, (-)-
Common Name English
6-OXABICYCLO(3.2.1)OCTAN-7-ONE, 1,3,4-TRIHYDROXY-, (1S,3R,4R,5R)-
Systematic Name English
(1S,3R,4R,5R)-1,3,4-TRIHYDROXY-6-OXABICYCLO(3.2.1)OCTAN-7-ONE
Systematic Name English
(-)-QUINIC ACID .GAMMA.-LACTONE
Common Name English
Code System Code Type Description
FDA UNII
3WCU7C8534
Created by admin on Sat Dec 16 14:02:04 GMT 2023 , Edited by admin on Sat Dec 16 14:02:04 GMT 2023
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PUBCHEM
10125106
Created by admin on Sat Dec 16 14:02:04 GMT 2023 , Edited by admin on Sat Dec 16 14:02:04 GMT 2023
PRIMARY
CAS
665-27-0
Created by admin on Sat Dec 16 14:02:04 GMT 2023 , Edited by admin on Sat Dec 16 14:02:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID30435861
Created by admin on Sat Dec 16 14:02:04 GMT 2023 , Edited by admin on Sat Dec 16 14:02:04 GMT 2023
PRIMARY