Phosphoric acid (18O4, 96%) 80-85% IN water-18O

H3O4P — CID 71309211

IUPAC—
SMILES[18O]=P([18OH])([18OH])[18OH]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i1+2,2+2,3+2,4+2
InChIKeyNBIIXXVUZAFLBC-QVEBFPOWSA-N
MW105.99 g/mol
LogP-0.93
Rot. Bonds

About Phosphoric acid (18O4, 96%) 80-85% IN water-18O

Phosphoric acid (18O4, 96%) 80-85% IN water-18O (PubChem CID 71309211) has the molecular formula H3O4P and a molecular weight of 105.99 g/mol.

Molecular Properties

Compound NamePhosphoric acid (18O4, 96%) 80-85% IN water-18O
PubChem CID71309211
Molecular FormulaH3O4P
Molecular Weight105.99 g/mol
Exact Mass105.99
IUPAC Name—
SMILES[18O]=P([18OH])([18OH])[18OH]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i1+2,2+2,3+2,4+2
InChIKeyNBIIXXVUZAFLBC-QVEBFPOWSA-N
XLogP-0.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.99
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Phosphoric acid (18O4, 96%) 80-85% IN water-18O?
The IUPAC name of Phosphoric acid (18O4, 96%) 80-85% IN water-18O (CID 71309211) is not available.
What is the SMILES notation for Phosphoric acid (18O4, 96%) 80-85% IN water-18O?
The canonical SMILES for Phosphoric acid (18O4, 96%) 80-85% IN water-18O is [18O]=P([18OH])([18OH])[18OH].
What is the InChIKey of Phosphoric acid (18O4, 96%) 80-85% IN water-18O?
The InChIKey is NBIIXXVUZAFLBC-QVEBFPOWSA-N. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i1+2,2+2,3+2,4+2.
What are the key properties of Phosphoric acid (18O4, 96%) 80-85% IN water-18O?
Phosphoric acid (18O4, 96%) 80-85% IN water-18O has a molecular weight of 105.99 g/mol, XLogP of -0.93, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Phosphoric acid (18O4, 96%) 80-85% IN water-18O is sourced from PubChem (CID 71309211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).