3-phosphanylpropane-1,1,2-triol

C3H9O3P — CID 22913132

IUPAC3-phosphanylpropane-1,1,2-triol
SMILESOC(O)C(O)CP
InChIInChI=1S/C3H9O3P/c4-2(1-7)3(5)6/h2-6H,1,7H2
InChIKeyKJFMUXFBDPTBCD-UHFFFAOYSA-N
MW124.08 g/mol
LogP-1.47
Rot. Bonds2

About 3-phosphanylpropane-1,1,2-triol

3-phosphanylpropane-1,1,2-triol (PubChem CID 22913132) has the molecular formula C3H9O3P and a molecular weight of 124.08 g/mol. Its IUPAC name is 3-phosphanylpropane-1,1,2-triol.

Molecular Properties

Compound Name3-phosphanylpropane-1,1,2-triol
PubChem CID22913132
Molecular FormulaC3H9O3P
Molecular Weight124.08 g/mol
Exact Mass124.03
IUPAC Name3-phosphanylpropane-1,1,2-triol
SMILESOC(O)C(O)CP
InChIInChI=1S/C3H9O3P/c4-2(1-7)3(5)6/h2-6H,1,7H2
InChIKeyKJFMUXFBDPTBCD-UHFFFAOYSA-N
XLogP-1.47
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.08
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phosphanylpropane-1,1,2-triol?
The IUPAC name of 3-phosphanylpropane-1,1,2-triol (CID 22913132) is 3-phosphanylpropane-1,1,2-triol.
What is the SMILES notation for 3-phosphanylpropane-1,1,2-triol?
The canonical SMILES for 3-phosphanylpropane-1,1,2-triol is OC(O)C(O)CP.
What is the InChIKey of 3-phosphanylpropane-1,1,2-triol?
The InChIKey is KJFMUXFBDPTBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O3P/c4-2(1-7)3(5)6/h2-6H,1,7H2.
What are the key properties of 3-phosphanylpropane-1,1,2-triol?
3-phosphanylpropane-1,1,2-triol has a molecular weight of 124.08 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylpropane-1,1,2-triol is sourced from PubChem (CID 22913132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).