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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H14O7
Molecular Weight 227.2234
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl-1,1,2,2,2-d5 ?-D-glucopyranosiduronic acid

SMILES

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

InChI

InChIKey=IWJBVMJWSPZNJH-XTJTXKPGSA-N
InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1/i1D3,2D2

HIDE SMILES / InChI

Molecular Formula C8H14O7
Molecular Weight 227.2234
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:16:52 GMT 2025
Edited
by admin
on Wed Apr 02 19:16:52 GMT 2025
Record UNII
P3PQJ4U9A7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl-1,1,2,2,2-d5 ?-D-glucopyranosiduronic acid
Systematic Name English
D5-ETHYL-BETA-D-GLUCURONIDE
Preferred Name English
?-D-Glucopyranosiduronic acid, ethyl-1,1,2,2,2-d5
Systematic Name English
Code System Code Type Description
PUBCHEM
71316593
Created by admin on Wed Apr 02 19:16:52 GMT 2025 , Edited by admin on Wed Apr 02 19:16:52 GMT 2025
PRIMARY
CAS
1135070-98-2
Created by admin on Wed Apr 02 19:16:52 GMT 2025 , Edited by admin on Wed Apr 02 19:16:52 GMT 2025
PRIMARY
FDA UNII
P3PQJ4U9A7
Created by admin on Wed Apr 02 19:16:52 GMT 2025 , Edited by admin on Wed Apr 02 19:16:52 GMT 2025
PRIMARY
SMS_ID
300000026111
Created by admin on Wed Apr 02 19:16:52 GMT 2025 , Edited by admin on Wed Apr 02 19:16:52 GMT 2025
PRIMARY