Sodium butyrateProduct ingredient for Butyric Acid

Name
Sodium butyrate
Drug Entry
Butyric Acid

A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.

Accession Number
DBSALT002877
Structure
Synonyms
Not Available
UNII
8RAS91C36W
CAS Number
156-54-7
Weight
Average: 110.088
Monoisotopic: 110.03437375
Chemical Formula
C4H7NaO2
InChI Key
MFBOGIVSZKQAPD-UHFFFAOYSA-M
InChI
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
IUPAC Name
sodium butanoate
SMILES
[Na+].CCCC([O-])=O
ChemSpider
8727
ChEBI
64103
ChEMBL
CHEMBL62381
Wikipedia
Sodium_butyrate
Predicted Properties
PropertyValueSource
Water Solubility168.0 mg/mLALOGPS
logP1.16ALOGPS
logP0.92Chemaxon
logS0.18ALOGPS
pKa (Strongest Acidic)4.91Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.13 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity32.71 m3·mol-1Chemaxon
Polarizability8.8 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon