(3H)Phosphoric acid

H3O4P — CID 3084191

IUPACtrideuterio phosphate
SMILES[2H]OP(=O)(O[2H])O[2H]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3
InChIKeyNBIIXXVUZAFLBC-ZRLBSURWSA-N
MW101.01 g/mol
LogP-2.10
Rot. Bonds

About (3H)Phosphoric acid

(3H)Phosphoric acid (PubChem CID 3084191) has the molecular formula H3O4P and a molecular weight of 101.01 g/mol. Its IUPAC name is trideuterio phosphate.

Molecular Properties

Compound Name(3H)Phosphoric acid
PubChem CID3084191
Molecular FormulaH3O4P
Molecular Weight101.01 g/mol
Exact Mass101.00
IUPAC Nametrideuterio phosphate
SMILES[2H]OP(=O)(O[2H])O[2H]
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3
InChIKeyNBIIXXVUZAFLBC-ZRLBSURWSA-N
XLogP-2.10
TPSA77.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms5
Complexity49

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.01
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3H)Phosphoric acid?
The IUPAC name of (3H)Phosphoric acid (CID 3084191) is trideuterio phosphate.
What is the SMILES notation for (3H)Phosphoric acid?
The canonical SMILES for (3H)Phosphoric acid is [2H]OP(=O)(O[2H])O[2H].
What is the InChIKey of (3H)Phosphoric acid?
The InChIKey is NBIIXXVUZAFLBC-ZRLBSURWSA-N. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3.
What are the key properties of (3H)Phosphoric acid?
(3H)Phosphoric acid has a molecular weight of 101.01 g/mol, XLogP of -2.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3H)Phosphoric acid is sourced from PubChem (CID 3084191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).