sodium;phosphoric acid;propan-1-ol

C3H10NaO5P — CID 161036889

IUPACsodium;phosphoric acid;propan-1-ol
SMILESO=P(O)(O)O.[CH2-]CCO.[Na+]
InChIInChI=1S/C3H7O.Na.H3O4P/c1-2-3-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q-1;+1;
InChIKeyGCRXHRRSCJMHKU-UHFFFAOYSA-N
MW180.07 g/mol
LogP-3.72
Rot. Bonds1

About sodium;phosphoric acid;propan-1-ol

sodium;phosphoric acid;propan-1-ol (PubChem CID 161036889) has the molecular formula C3H10NaO5P and a molecular weight of 180.07 g/mol. Its IUPAC name is sodium;phosphoric acid;propan-1-ol.

Molecular Properties

Compound Namesodium;phosphoric acid;propan-1-ol
PubChem CID161036889
Molecular FormulaC3H10NaO5P
Molecular Weight180.07 g/mol
Exact Mass180.02
IUPAC Namesodium;phosphoric acid;propan-1-ol
SMILESO=P(O)(O)O.[CH2-]CCO.[Na+]
InChIInChI=1S/C3H7O.Na.H3O4P/c1-2-3-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q-1;+1;
InChIKeyGCRXHRRSCJMHKU-UHFFFAOYSA-N
XLogP-3.72
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.07
LogP ≤ 5-3.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;phosphoric acid;propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;ethanol;phosphoric acid
CID 87786225
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
butane;phosphoric acid;vanadium(2+)
CID 87828686
sodium;propan-1-ol;sulfurothioic O-acid
CID 162066518
sodium;hydride;phosphoric acid
CID 3084021
pentasodium;hydride;phosphoric acid
CID 173157264
hexasodium;phosphoric acid;hexafluoride
CID 173078700
trisodium;hydride;phosphoric acid
CID 173046731
dipotassium;trisodium;phosphoric acid
CID 175728494
sodium;hydride;phosphoric acid
CID 173151585
sodium;phosphoric acid;tridecane
CID 162219181
2-aminoethanol;phosphoric acid;zinc
CID 126749483

Frequently Asked Questions

What is the IUPAC name of sodium;phosphoric acid;propan-1-ol?
The IUPAC name of sodium;phosphoric acid;propan-1-ol (CID 161036889) is sodium;phosphoric acid;propan-1-ol.
What is the SMILES notation for sodium;phosphoric acid;propan-1-ol?
The canonical SMILES for sodium;phosphoric acid;propan-1-ol is O=P(O)(O)O.[CH2-]CCO.[Na+].
What is the InChIKey of sodium;phosphoric acid;propan-1-ol?
The InChIKey is GCRXHRRSCJMHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Na.H3O4P/c1-2-3-4;;1-5(2,3)4/h4H,1-3H2;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;phosphoric acid;propan-1-ol?
sodium;phosphoric acid;propan-1-ol has a molecular weight of 180.07 g/mol, XLogP of -3.72, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;phosphoric acid;propan-1-ol is sourced from PubChem (CID 161036889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).