(18O4)sulfuric acid

• ChemBase ID: 135305
• Molecular Formular: H2O4S
• Molecular Mass: 106.077524
• Monoisotopic Mass: 105.98436506
• SMILES: [18OH]S(=[18O])(=[18O])[18OH]
• Canonical SMILES: [18OH]S(=[18O])(=[18O])[18OH]
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i1+2,2+2,3+2,4+2
• InChIKey: QAOWNCQODCNURD-QVEBFPOWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^8O₄)sulfuric acid
• IUPAC Traditional name: (^1^8O₄)sulfuric acid
• Synonyms: Sulfuric acid-18O4 solution; 硫酸-18O4 溶液

Database IDs

• MDL Number: MFCD00084252
• PubChem SID: 162229580
• PubChem CID: 11557308

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+8

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1830
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 35
• Safety Statements: 26-30-45
• RID/ADR: UN 1830 8/PG 2

Product Information

• Concentration: 96 wt. % in H218O
• Isotopic Purity: 95 atom % 18O
• Mol. Weight: mol wt 105.68 by atom % calculation
• Linear Formula: H2S18O4 / H218O

DETAILS

Sigma Aldrich - 609943

Packaging
500 mg in ampule
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.