dichlorophosphoryl dihydrogen phosphate

H2Cl2O5P2 — CID 20539564

IUPACdichlorophosphoryl dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(Cl)Cl
InChIInChI=1S/Cl2H2O5P2/c1-8(2,3)7-9(4,5)6/h(H2,4,5,6)
InChIKeyTVNCQGFFGPQSPJ-UHFFFAOYSA-N
MW214.87 g/mol
LogP1.68
Rot. Bonds2

About dichlorophosphoryl dihydrogen phosphate

dichlorophosphoryl dihydrogen phosphate (PubChem CID 20539564) has the molecular formula H2Cl2O5P2 and a molecular weight of 214.87 g/mol. Its IUPAC name is dichlorophosphoryl dihydrogen phosphate.

Molecular Properties

Compound Namedichlorophosphoryl dihydrogen phosphate
PubChem CID20539564
Molecular FormulaH2Cl2O5P2
Molecular Weight214.87 g/mol
Exact Mass213.88
IUPAC Namedichlorophosphoryl dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(Cl)Cl
InChIInChI=1S/Cl2H2O5P2/c1-8(2,3)7-9(4,5)6/h(H2,4,5,6)
InChIKeyTVNCQGFFGPQSPJ-UHFFFAOYSA-N
XLogP1.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.87
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

beryllium;hydride;phosphono dihydrogen phosphate
CID 174815084
hafnium;phosphono dihydrogen phosphate
CID 173013366
phosphono dihydrogen phosphate;tellane
CID 174550958
phosphono dihydrogen phosphate;silver
CID 131872547
dialuminum;phosphono dihydrogen phosphate
CID 175801807
azane;hydron;phosphono dihydrogen phosphate
CID 173267420
magnesium pyrophosphate hydrate
CID 176515646
manganese;phosphono dihydrogen phosphate;phosphoric acid
CID 174967015
copper;phosphono dihydrogen phosphate;phosphoric acid
CID 173436835
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
alumane;phosphono dihydrogen phosphate;zinc
CID 174869151
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258

Frequently Asked Questions

What is the IUPAC name of dichlorophosphoryl dihydrogen phosphate?
The IUPAC name of dichlorophosphoryl dihydrogen phosphate (CID 20539564) is dichlorophosphoryl dihydrogen phosphate.
What is the SMILES notation for dichlorophosphoryl dihydrogen phosphate?
The canonical SMILES for dichlorophosphoryl dihydrogen phosphate is O=P(O)(O)OP(=O)(Cl)Cl.
What is the InChIKey of dichlorophosphoryl dihydrogen phosphate?
The InChIKey is TVNCQGFFGPQSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2H2O5P2/c1-8(2,3)7-9(4,5)6/h(H2,4,5,6).
What are the key properties of dichlorophosphoryl dihydrogen phosphate?
dichlorophosphoryl dihydrogen phosphate has a molecular weight of 214.87 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphoryl dihydrogen phosphate is sourced from PubChem (CID 20539564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).