tris(dipropylphosphinic acid);propane-1,2,3-triol

C21H53O9P3 — CID 173171073

IUPACtris(dipropylphosphinic acid);propane-1,2,3-triol
SMILESCCCP(=O)(O)CCC.CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.OCC(O)CO
InChIInChI=1S/3C6H15O2P.C3H8O3/c3*1-3-5-9(7,8)6-4-2;4-1-3(6)2-5/h3*3-6H2,1-2H3,(H,7,8);3-6H,1-2H2
InChIKeyVCESUXATCSRQSC-UHFFFAOYSA-N
MW542.57 g/mol
LogP4.56
Rot. Bonds14

About tris(dipropylphosphinic acid);propane-1,2,3-triol

tris(dipropylphosphinic acid);propane-1,2,3-triol (PubChem CID 173171073) has the molecular formula C21H53O9P3 and a molecular weight of 542.57 g/mol. Its IUPAC name is tris(dipropylphosphinic acid);propane-1,2,3-triol.

Molecular Properties

Compound Nametris(dipropylphosphinic acid);propane-1,2,3-triol
PubChem CID173171073
Molecular FormulaC21H53O9P3
Molecular Weight542.57 g/mol
Exact Mass542.29
IUPAC Nametris(dipropylphosphinic acid);propane-1,2,3-triol
SMILESCCCP(=O)(O)CCC.CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.OCC(O)CO
InChIInChI=1S/3C6H15O2P.C3H8O3/c3*1-3-5-9(7,8)6-4-2;4-1-3(6)2-5/h3*3-6H2,1-2H3,(H,7,8);3-6H,1-2H2
InChIKeyVCESUXATCSRQSC-UHFFFAOYSA-N
XLogP4.56
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 54.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

magnesium;dipropylphosphinic acid;hydride
CID 175497166
CID 87292853
CID 87292853
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
alumane;butyl(propyl)phosphinic acid
CID 174987333
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
phosphoric acid;propane-1,2,3-triol;sulfuric acid
CID 158330502
barium(2+);ethyl(propyl)phosphinic acid;hydride
CID 174823068
propane-1,2,3-triol;tributyl phosphate
CID 162064877
magnesium;butanoic acid;hydride;propane-1,2,3-triol
CID 175320082
2-ethylpropanedioic acid;propane-1,2,3-triol
CID 174817695
ethene;propane;propane-1,2,3-triol
CID 87089727

Frequently Asked Questions

What is the IUPAC name of tris(dipropylphosphinic acid);propane-1,2,3-triol?
The IUPAC name of tris(dipropylphosphinic acid);propane-1,2,3-triol (CID 173171073) is tris(dipropylphosphinic acid);propane-1,2,3-triol.
What is the SMILES notation for tris(dipropylphosphinic acid);propane-1,2,3-triol?
The canonical SMILES for tris(dipropylphosphinic acid);propane-1,2,3-triol is CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.OCC(O)CO.
What is the InChIKey of tris(dipropylphosphinic acid);propane-1,2,3-triol?
The InChIKey is VCESUXATCSRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H15O2P.C3H8O3/c3*1-3-5-9(7,8)6-4-2;4-1-3(6)2-5/h3*3-6H2,1-2H3,(H,7,8);3-6H,1-2H2.
What are the key properties of tris(dipropylphosphinic acid);propane-1,2,3-triol?
tris(dipropylphosphinic acid);propane-1,2,3-triol has a molecular weight of 542.57 g/mol, XLogP of 4.56, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dipropylphosphinic acid);propane-1,2,3-triol is sourced from PubChem (CID 173171073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).