beta-D-Glucuronate

C6H9O7- — CID 11877136

IUPAC(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
SMILES[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-M
MW193.13 g/mol
LogP-1.70
Rot. Bonds

About beta-D-Glucuronate

beta-D-Glucuronate (PubChem CID 11877136) has the molecular formula C6H9O7- and a molecular weight of 193.13 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate.

Molecular Properties

Compound Namebeta-D-Glucuronate
PubChem CID11877136
Molecular FormulaC6H9O7-
Molecular Weight193.13 g/mol
Exact Mass193.03
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
SMILES[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-M
XLogP-1.70
TPSA130.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity200

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze beta-D-Glucuronate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of beta-D-Glucuronate?
The IUPAC name of beta-D-Glucuronate (CID 11877136) is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate.
What is the SMILES notation for beta-D-Glucuronate?
The canonical SMILES for beta-D-Glucuronate is [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O.
What is the InChIKey of beta-D-Glucuronate?
The InChIKey is AEMOLEFTQBMNLQ-QIUUJYRFSA-M. The full InChI is InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6+/m0/s1.
What are the key properties of beta-D-Glucuronate?
beta-D-Glucuronate has a molecular weight of 193.13 g/mol, XLogP of -1.70, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for beta-D-Glucuronate is sourced from PubChem (CID 11877136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).