disodium;4-hydroxybutyl phosphate

C4H9Na2O5P — CID 58734880

IUPACdisodium;4-hydroxybutyl phosphate
SMILESO=P([O-])([O-])OCCCCO.[Na+].[Na+]
InChIInChI=1S/C4H11O5P.2Na/c5-3-1-2-4-9-10(6,7)8;;/h5H,1-4H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKeyRLSYJLUIUOXSAL-UHFFFAOYSA-L
MW214.06 g/mol
LogP-7.39
Rot. Bonds5

About disodium;4-hydroxybutyl phosphate

disodium;4-hydroxybutyl phosphate (PubChem CID 58734880) has the molecular formula C4H9Na2O5P and a molecular weight of 214.06 g/mol. Its IUPAC name is disodium;4-hydroxybutyl phosphate.

Molecular Properties

Compound Namedisodium;4-hydroxybutyl phosphate
PubChem CID58734880
Molecular FormulaC4H9Na2O5P
Molecular Weight214.06 g/mol
Exact Mass214.00
IUPAC Namedisodium;4-hydroxybutyl phosphate
SMILESO=P([O-])([O-])OCCCCO.[Na+].[Na+]
InChIInChI=1S/C4H11O5P.2Na/c5-3-1-2-4-9-10(6,7)8;;/h5H,1-4H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKeyRLSYJLUIUOXSAL-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 ≤ 500214.06
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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Frequently Asked Questions

What is the IUPAC name of disodium;4-hydroxybutyl phosphate?
The IUPAC name of disodium;4-hydroxybutyl phosphate (CID 58734880) is disodium;4-hydroxybutyl phosphate.
What is the SMILES notation for disodium;4-hydroxybutyl phosphate?
The canonical SMILES for disodium;4-hydroxybutyl phosphate is O=P([O-])([O-])OCCCCO.[Na+].[Na+].
What is the InChIKey of disodium;4-hydroxybutyl phosphate?
The InChIKey is RLSYJLUIUOXSAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O5P.2Na/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 disodium;4-hydroxybutyl phosphate?
disodium;4-hydroxybutyl phosphate has a molecular weight of 214.06 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 disodium;4-hydroxybutyl phosphate is sourced from PubChem (CID 58734880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).