dihydrogen phosphate

H2O4P- — CID 1003

IUPACdihydrogen phosphate
SMILESO=P([O-])(O)O
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
MW96.99 g/mol
LogP-1.56
Rot. Bonds

About dihydrogen phosphate

dihydrogen phosphate (PubChem CID 1003) has the molecular formula H2O4P- and a molecular weight of 96.99 g/mol. Its IUPAC name is dihydrogen phosphate.

Molecular Properties

Compound Namedihydrogen phosphate
PubChem CID1003
Molecular FormulaH2O4P-
Molecular Weight96.99 g/mol
Exact Mass96.97
IUPAC Namedihydrogen phosphate
SMILESO=P([O-])(O)O
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
XLogP-1.56
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.99
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphoric Acid
CID 1004
Monobasic potassium phosphate
CID 516951
Phosphate
CID 1061
Monosodium phosphate
CID 23672064
Calcium hydrogen phosphate
CID 24441
Phosphoric acid, beryllium salt (1:1)
CID 26127
Concise etchant
CID 22486802
Magnesium Hydrogen Phosphate
CID 123955
Metaphosphoric Acid
CID 3084658
(3H)Phosphoric acid
CID 3084191
Hydrogen phosphate
CID 3681305
Hydrogen phosphate;hydron
CID 172995034

Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate?
The IUPAC name of dihydrogen phosphate (CID 1003) is dihydrogen phosphate.
What is the SMILES notation for dihydrogen phosphate?
The canonical SMILES for dihydrogen phosphate is O=P([O-])(O)O.
What is the InChIKey of dihydrogen phosphate?
The InChIKey is NBIIXXVUZAFLBC-UHFFFAOYSA-M. The full InChI is InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1.
What are the key properties of dihydrogen phosphate?
dihydrogen phosphate has a molecular weight of 96.99 g/mol, XLogP of -1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate is sourced from PubChem (CID 1003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).