dihydroxy(oxo)phosphanium;propane-1,2,3-triol

C3H10O6P+ — CID 87878528

IUPACdihydroxy(oxo)phosphanium;propane-1,2,3-triol
SMILESO=[P+](O)O.OCC(O)CO
InChIInChI=1S/C3H8O3.HO3P/c4-1-3(6)2-5;1-4(2)3/h3-6H,1-2H2;(H-,1,2,3)/p+1
InChIKeyUXGHICFMVMSQFM-UHFFFAOYSA-O
MW173.08 g/mol
LogP-2.04
Rot. Bonds2

About dihydroxy(oxo)phosphanium;propane-1,2,3-triol

dihydroxy(oxo)phosphanium;propane-1,2,3-triol (PubChem CID 87878528) has the molecular formula C3H10O6P+ and a molecular weight of 173.08 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;propane-1,2,3-triol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;propane-1,2,3-triol
PubChem CID87878528
Molecular FormulaC3H10O6P+
Molecular Weight173.08 g/mol
Exact Mass173.02
IUPAC Namedihydroxy(oxo)phosphanium;propane-1,2,3-triol
SMILESO=[P+](O)O.OCC(O)CO
InChIInChI=1S/C3H8O3.HO3P/c4-1-3(6)2-5;1-4(2)3/h3-6H,1-2H2;(H-,1,2,3)/p+1
InChIKeyUXGHICFMVMSQFM-UHFFFAOYSA-O
XLogP-2.04
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.08
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
magnesium;propane-1,2,3-triol;dihydroxide
CID 159793120
bis(propane-1,2,3-triol);titanium;hydrate
CID 10422057
iron(2+);oxygen(2-);propane-1,2,3-triol
CID 157365497
potassium;propane-1,2,3-triol;bromide
CID 160591555
CID 172765682
CID 172765682
potassium;hydride;propane-1,2,3-triol
CID 173019679
molybdenum;propane-1,2,3-triol;hydrate
CID 172843449
4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium
CID 123199268

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;propane-1,2,3-triol?
The IUPAC name of dihydroxy(oxo)phosphanium;propane-1,2,3-triol (CID 87878528) is dihydroxy(oxo)phosphanium;propane-1,2,3-triol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;propane-1,2,3-triol?
The canonical SMILES for dihydroxy(oxo)phosphanium;propane-1,2,3-triol is O=[P+](O)O.OCC(O)CO.
What is the InChIKey of dihydroxy(oxo)phosphanium;propane-1,2,3-triol?
The InChIKey is UXGHICFMVMSQFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8O3.HO3P/c4-1-3(6)2-5;1-4(2)3/h3-6H,1-2H2;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;propane-1,2,3-triol?
dihydroxy(oxo)phosphanium;propane-1,2,3-triol has a molecular weight of 173.08 g/mol, XLogP of -2.04, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;propane-1,2,3-triol is sourced from PubChem (CID 87878528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).