sodium (1-14C)pentanoate

• ChemBase ID: 132254
• Molecular Formular: C5H9NaO2
• Molecular Mass: 126.10607199
• Monoisotopic Mass: 126.0532658
• SMILES: CCCC[14C](=O)O[Na]
• Canonical SMILES: CCCC[14C](=O)O[Na]
• InChI: InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1/i5+2
• InChIKey: LHYPLJGBYPAQAK-DFIQVTRPSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (1-^1^4C)pentanoate
• IUPAC Traditional name: sodium (1-^1^4C)pentanoate
• Synonyms: Pentanoic acid-(carboxy-14C) sodium salt

Database IDs

• CAS Number: 80143-66-4
• MDL Number: MFCD00082328
• PubChem SID: 162226531; 24858934
• PubChem CID: 16211996

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5641
• LogD (pH = 7.4): 1.5641
• Log P: 1.5641
• Molar Refractivity: 25.545 cm^3
• Polarizability: 12.378258 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 1-10 mCi per mmol

DETAILS

Sigma Aldrich - 313971

包装
screw cap bottle