1-hydroxy-3-phosphanyloxypropan-2-one

C3H7O3P — CID 59065527

IUPAC1-hydroxy-3-phosphanyloxypropan-2-one
SMILESO=C(CO)COP
InChIInChI=1S/C3H7O3P/c4-1-3(5)2-6-7/h4H,1-2,7H2
InChIKeyNHGBOHVYGLYEJO-UHFFFAOYSA-N
MW122.06 g/mol
LogP-0.65
Rot. Bonds3

About 1-hydroxy-3-phosphanyloxypropan-2-one

1-hydroxy-3-phosphanyloxypropan-2-one (PubChem CID 59065527) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is 1-hydroxy-3-phosphanyloxypropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-phosphanyloxypropan-2-one
PubChem CID59065527
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name1-hydroxy-3-phosphanyloxypropan-2-one
SMILESO=C(CO)COP
InChIInChI=1S/C3H7O3P/c4-1-3(5)2-6-7/h4H,1-2,7H2
InChIKeyNHGBOHVYGLYEJO-UHFFFAOYSA-N
XLogP-0.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydroxyacetone
CID 670
1,1,3,3-Tetradeuterio-1,3-dihydroxypropan-2-one
CID 12289996
Trihydroxy-(3-hydroxy-2-oxopropoxy)phosphanium
CID 88558856
1,3-dihydroxy(113C)propan-2-one
CID 123336486
1,3-Dihydroxy-1-phosphanylpropan-2-one
CID 174815751
1-Deuterio-1,3-dihydroxypropan-2-one
CID 175831178
1,3-dihydroxypropan-2-(18O)one
CID 10953428
1,3-Dihydroxy-2-propanone-2-13C
CID 12289995
CID 53627592
CID 53627592
1,3-Dideuteriooxypropan-2-one
CID 101717881
1-Deuterio-1,3-dideuteriooxypropan-2-one
CID 101717882

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-phosphanyloxypropan-2-one?
The IUPAC name of 1-hydroxy-3-phosphanyloxypropan-2-one (CID 59065527) is 1-hydroxy-3-phosphanyloxypropan-2-one.
What is the SMILES notation for 1-hydroxy-3-phosphanyloxypropan-2-one?
The canonical SMILES for 1-hydroxy-3-phosphanyloxypropan-2-one is O=C(CO)COP.
What is the InChIKey of 1-hydroxy-3-phosphanyloxypropan-2-one?
The InChIKey is NHGBOHVYGLYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c4-1-3(5)2-6-7/h4H,1-2,7H2.
What are the key properties of 1-hydroxy-3-phosphanyloxypropan-2-one?
1-hydroxy-3-phosphanyloxypropan-2-one has a molecular weight of 122.06 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-phosphanyloxypropan-2-one is sourced from PubChem (CID 59065527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).