Metabolite D-glucuronate

Name
D-glucuronate
Description
Not Available
Structure
3D
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 193.132
Monoisotopic: 193.03537621
Chemical Formula
C6H9O7
InChI Key
IAJILQKETJEXLJ-UHFFFAOYSA-M
InChI
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1
IUPAC Name
2,3,4,5-tetrahydroxy-6-oxohexanoate
SMILES
OC(C=O)C(O)C(O)C(O)C([O-])=O
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-127.55084
predicted
DeepCCS 1.0 (2019)
[M+H]+131.33244
predicted
DeepCCS 1.0 (2019)
[M+Na]+139.9175
predicted
DeepCCS 1.0 (2019)
ChemSpider
10607888
Wikipedia
Glucuronic_acid
Predicted Properties
PropertyValueSource
Water Solubility265.0 mg/mLALOGPS
logP-1.8ALOGPS
logP-3.2Chemaxon
logS0.1ALOGPS
pKa (Strongest Acidic)3.24Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area138.12 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity48.05 m3·mol-1Chemaxon
Polarizability15.71 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon