(16O4)phosphoric acid

• ChemBase ID: 135318
• Molecular Formular: H3O4P
• Molecular Mass: 97.97723948
• Monoisotopic Mass: 97.97689521
• SMILES: [16OH]P(=[16O])([16OH])[16OH]
• Canonical SMILES: [16OH]P(=[16O])([16OH])[16OH]
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i1+0,2+0,3+0,4+0
• InChIKey: NBIIXXVUZAFLBC-KTAHLDKPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^6O₄)phosphoric acid
• IUPAC Traditional name: (^1^6O₄)phosphoric acid
• Synonyms: Phosphoric acid-16O4 solution; 磷酸-16O4 溶液

Database IDs

• PubChem SID: 162229592
• PubChem CID: 71307396

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 14.6519 cm^3
• Polarizability: 5.927813 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: depleted

Product Information

• Concentration: 70 wt. % in D2O
• Isotopic Purity: 99.9 atom % 16O
• Description: 18O-depleted
• Mol. Weight: mol wt 98.00 by atom % calculation
• Linear Formula: H3P16O4

DETAILS

Sigma Aldrich - 609781

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.