dipotassium;4-hydroxybutyl phosphate

C4H9K2O5P — CID 11971155

IUPACdipotassium;4-hydroxybutyl phosphate
SMILESO=P([O-])([O-])OCCCCO.[K+].[K+]
InChIInChI=1S/C4H11O5P.2K/c5-3-1-2-4-9-10(6,7)8;;/h5H,1-4H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKeyPQSDWINLVLKRMY-UHFFFAOYSA-L
MW246.28 g/mol
LogP-7.39
Rot. Bonds5

About dipotassium;4-hydroxybutyl phosphate

dipotassium;4-hydroxybutyl phosphate (PubChem CID 11971155) has the molecular formula C4H9K2O5P and a molecular weight of 246.28 g/mol. Its IUPAC name is dipotassium;4-hydroxybutyl phosphate.

Molecular Properties

Compound Namedipotassium;4-hydroxybutyl phosphate
PubChem CID11971155
Molecular FormulaC4H9K2O5P
Molecular Weight246.28 g/mol
Exact Mass245.95
IUPAC Namedipotassium;4-hydroxybutyl phosphate
SMILESO=P([O-])([O-])OCCCCO.[K+].[K+]
InChIInChI=1S/C4H11O5P.2K/c5-3-1-2-4-9-10(6,7)8;;/h5H,1-4H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKeyPQSDWINLVLKRMY-UHFFFAOYSA-L
XLogP-7.39
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-7.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxybutyl Trihydrogen Diphosphate
CID 60150351
Tris-(4-hydroxybutyl) phosphate
CID 53915781
4-Hydroxybutyl dihydrogen phosphate
CID 82534
Fluoro 4-hydroxybutyl hydrogen phosphate
CID 178182476
Butyl acid phosphate, potassium salt
CID 23668616
CID 170839880
CID 170839880
4-Hydroxybutyl dihydrogen phosphite
CID 21493257
Bis(4-hydroxybutoxy)-oxophosphanium
CID 57020327
4-Hydroxybutyl phosphate
CID 57468087
Disodium;4-hydroxybutyl phosphate
CID 58734880
Disodium;4-hydroxybutyl phosphate
CID 72405835
Butane-1,4-diol;phosphoric acid
CID 87059375

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-hydroxybutyl phosphate?
The IUPAC name of dipotassium;4-hydroxybutyl phosphate (CID 11971155) is dipotassium;4-hydroxybutyl phosphate.
What is the SMILES notation for dipotassium;4-hydroxybutyl phosphate?
The canonical SMILES for dipotassium;4-hydroxybutyl phosphate is O=P([O-])([O-])OCCCCO.[K+].[K+].
What is the InChIKey of dipotassium;4-hydroxybutyl phosphate?
The InChIKey is PQSDWINLVLKRMY-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O5P.2K/c5-3-1-2-4-9-10(6,7)8;;/h5H,1-4H2,(H2,6,7,8);;/q;2*+1/p-2.
What are the key properties of dipotassium;4-hydroxybutyl phosphate?
dipotassium;4-hydroxybutyl phosphate has a molecular weight of 246.28 g/mol, XLogP of -7.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-hydroxybutyl phosphate is sourced from PubChem (CID 11971155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).