chempirical

Sodium D-glucuronate

C6H9NaO7CAS 14984-34-0216.12 g/mol

Open in Covalent MOL file
O−OOHOHOHOHONa+
AlcoholAldehydeCarboxylic acid

Properties

Molecular formula
C6H9NaO7
Molar mass
216.12 g/mol
Exact mass
216.0246 Da
logP
-3.67Crippen estimate
Polar surface area
135.3 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
14984-34-0
SMILES
[O-]C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.[Na+]
InChIKey
QKHMTHNLNZGTSP-JSCKKFHOSA-N
InChI
InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/t2-,3+,4-,5-;/m0./s1

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Names and synonyms

6 names
  • D-Glucuronic acid, sodium salt (1:1)
  • Glucuronic acid, monosodium salt, D-
  • D-Glucuronic acid, monosodium salt
  • Glucuronic acid, sodium salt
  • Sodium glucuronate
  • D-Glucuronic acid sodium salt

Work with Sodium D-glucuronate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium tartrate868-18-857 % similar Guluronic acid15769-56-956 % similar Glucuronic acid6556-12-356 % similar Calcium saccharate5793-88-453 % similar Sodium gluconate527-07-153 % similar Potassium sodium tartrate304-59-652 % similar Sodium tartrate dihydrate6106-24-752 % similar Monosodium tartrate526-94-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook