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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Related Compounds

4-phosphanylbutane-1,1,2,3-tetrol
CID 19877723
(2S,3S)-2-amino-3-hydroxy-4-phosphanylbutanoic acid
CID 87416612
(S)-amino(phosphanyl)methanol
CID 173485224
2-aminohexane-1,1,3,4,6-pentol
CID 89321617
trihydroxy(phosphanyl)phosphanium
CID 172746758
(2S,3R)-2-amino-4-bromo-3-hydroxybutanoic acid
CID 130737323
1-(1,2,3-trihydroxypropyldisulfanyl)propane-1,2,3-triol
CID 87220682
CID 174000759
CID 174000759
(2R)-2-aminobutane-1,1-diol
CID 148517870
CID 162331497
CID 162331497
(1R)-1-aminoethane-1,2-diol
CID 140649256
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903

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).