potassium hydrogen (13C)carbonate

• ChemBase ID: 135235
• Molecular Formular: CHKO3
• Molecular Mass: 101.10779484
• Monoisotopic Mass: 100.95963041
• SMILES: [13C](=O)(O)[O-].[K+]
• Canonical SMILES: [O-][13C](=O)O.[K+]
• InChI: InChI=1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1/i1+1
• InChIKey: TYJJADVDDVDEDZ-YTBWXGASSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium hydrogen (^1^3C)carbonate
• IUPAC Traditional name: potassium hydrogen (^1^3C)carbonate
• Synonyms: Potassium hydrogen carbonate-13C; Potassium bicarbonate-13C; 碳酸氢钾-13C; 重碳酸钾-13C

Database IDs

• MDL Number: MFCD04118194
• PubChem SID: 162229510
• PubChem CID: 71309165

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 20.3353 cm^3
• Polarizability: 3.759794 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+1

Product Information

• Isotopic Purity: 98 atom % 13C
• Mol. Weight: mol wt 101.09 by atom % calculation
• Linear Formula: KH13CO3

DETAILS

Sigma Aldrich - 606235

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.