Sodium glucuronate hydrate

C₆H₁₁NaO₈CAS 207300-70-7234.14 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Carboxylic acid

Properties

Molecular formula: C₆H₁₁NaO₈
Molar mass: 234.14 g/mol
Exact mass: 234.0352 Da
logP: -8.44Crippen estimate
Polar surface area: 169.6 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 5
Stereocentres: R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

207300-70-7

SMILES

C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O.O.[Na+]

InChIKey

ICQRTPLATMRWJI-JLWXJWIASA-M

InChI

InChI=1S/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/p-1/t2-,3+,4-,5-;;/m0../s1

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Names and synonyms

1 names

D-Glucuronic acid sodium salt monohydrate

Work with Sodium glucuronate hydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium D-glucuronate14984-34-0Anhydrous Glucuronic acid6556-12-3Free acid Guluronic acid15769-56-9Free acid, diastereomer

Similar compounds

Sodium tartrate dihydrate6106-24-761 % similar Calcium D-saccharate tetrahydrate5793-89-557 % similar Monopotassium monosodium tartrate tetrahydrate6381-59-556 % similar Sodium tartrate868-18-852 % similar Sodium gluconate527-07-149 % similar Calcium saccharate5793-88-449 % similar Sodium α-glucoheptonate13007-85-748 % similar Sodium glucoheptonate31138-65-548 % similar

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

Elsewhere

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