[(2-13C)propanoyloxy]zincio (2-13C)propanoate

• ChemBase ID: 135249
• Molecular Formular: C6H10O4Zn
• Molecular Mass: 213.50650968
• Monoisotopic Mass: 211.99376048
• SMILES: C[13CH2]C(=O)O[Zn]OC(=O)[13CH2]C
• Canonical SMILES: C[13CH2]C(=O)O[Zn]OC(=O)[13CH2]C
• InChI: InChI=1S/2C3H6O2.Zn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2/i2*2+1
• InChIKey: XDWXRAYGALQIFG-PKOMNEFASA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-^1^3C)propanoyloxy]zincio (2-^1^3C)propanoate
• IUPAC Traditional name: [(2-^1^3C)propanoyloxy]zincio (2-^1^3C)propanoate
• Synonyms: Zinc propionate-2-13C,3,3,3-d3; 丙酸锌-2-13C,3,3,3-d3

Database IDs

• MDL Number: MFCD04118211
• PubChem SID: 162229524
• PubChem CID: 71309176

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.393
• LogD (pH = 7.4): 0.393
• Log P: 0.393
• Molar Refractivity: 32.686 cm^3
• Polarizability: 16.923458 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+8

Product Information

• Isotopic Purity: 99 atom % 13C; 99 atom % D
• Mol. Weight: mol wt 219.47 by atom % calculation
• Linear Formula: Zn(CD313CH2CO2)2

DETAILS

Sigma Aldrich - 607436

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.