phosphono dihydrogen phosphate;phosphoric acid

H7O11P3 — CID 134129222

IUPACphosphono dihydrogen phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/H4O7P2.H3O4P/c1-8(2,3)7-9(4,5)6;1-5(2,3)4/h(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)
InChIKeyBRFMYUCUGXFMIO-UHFFFAOYSA-N
MW275.97 g/mol
LogP-1.74
Rot. Bonds2

About phosphono dihydrogen phosphate;phosphoric acid

phosphono dihydrogen phosphate;phosphoric acid (PubChem CID 134129222) has the molecular formula H7O11P3 and a molecular weight of 275.97 g/mol. Its IUPAC name is phosphono dihydrogen phosphate;phosphoric acid.

Molecular Properties

Compound Namephosphono dihydrogen phosphate;phosphoric acid
PubChem CID134129222
Molecular FormulaH7O11P3
Molecular Weight275.97 g/mol
Exact Mass275.92
IUPAC Namephosphono dihydrogen phosphate;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/H4O7P2.H3O4P/c1-8(2,3)7-9(4,5)6;1-5(2,3)4/h(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)
InChIKeyBRFMYUCUGXFMIO-UHFFFAOYSA-N
XLogP-1.74
TPSA202.05 Ų
H-Bond Donors7
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.97
LogP ≤ 5-1.74
H-Bond Donors ≤ 57
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 phosphono dihydrogen phosphate;phosphoric acid?
The IUPAC name of phosphono dihydrogen phosphate;phosphoric acid (CID 134129222) is phosphono dihydrogen phosphate;phosphoric acid.
What is the SMILES notation for phosphono dihydrogen phosphate;phosphoric acid?
The canonical SMILES for phosphono dihydrogen phosphate;phosphoric acid is O=P(O)(O)O.O=P(O)(O)OP(=O)(O)O.
What is the InChIKey of phosphono dihydrogen phosphate;phosphoric acid?
The InChIKey is BRFMYUCUGXFMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O7P2.H3O4P/c1-8(2,3)7-9(4,5)6;1-5(2,3)4/h(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4).
What are the key properties of phosphono dihydrogen phosphate;phosphoric acid?
phosphono dihydrogen phosphate;phosphoric acid has a molecular weight of 275.97 g/mol, XLogP of -1.74, 2 rotatable bonds, 7 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono dihydrogen phosphate;phosphoric acid is sourced from PubChem (CID 134129222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).