1,3-dihydroxy-1-phosphanylpropan-2-one

C3H7O3P — CID 174815751

IUPAC1,3-dihydroxy-1-phosphanylpropan-2-one
SMILESO=C(CO)C(O)P
InChIInChI=1S/C3H7O3P/c4-1-2(5)3(6)7/h3-4,6H,1,7H2
InChIKeyYNTCMNFAWOFWRF-UHFFFAOYSA-N
MW122.06 g/mol
LogP-1.26
Rot. Bonds2

About 1,3-dihydroxy-1-phosphanylpropan-2-one

1,3-dihydroxy-1-phosphanylpropan-2-one (PubChem CID 174815751) has the molecular formula C3H7O3P and a molecular weight of 122.06 g/mol. Its IUPAC name is 1,3-dihydroxy-1-phosphanylpropan-2-one.

Molecular Properties

Compound Name1,3-dihydroxy-1-phosphanylpropan-2-one
PubChem CID174815751
Molecular FormulaC3H7O3P
Molecular Weight122.06 g/mol
Exact Mass122.01
IUPAC Name1,3-dihydroxy-1-phosphanylpropan-2-one
SMILESO=C(CO)C(O)P
InChIInChI=1S/C3H7O3P/c4-1-2(5)3(6)7/h3-4,6H,1,7H2
InChIKeyYNTCMNFAWOFWRF-UHFFFAOYSA-N
XLogP-1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.06
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-1-phosphanylpropan-2-one?
The IUPAC name of 1,3-dihydroxy-1-phosphanylpropan-2-one (CID 174815751) is 1,3-dihydroxy-1-phosphanylpropan-2-one.
What is the SMILES notation for 1,3-dihydroxy-1-phosphanylpropan-2-one?
The canonical SMILES for 1,3-dihydroxy-1-phosphanylpropan-2-one is O=C(CO)C(O)P.
What is the InChIKey of 1,3-dihydroxy-1-phosphanylpropan-2-one?
The InChIKey is YNTCMNFAWOFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O3P/c4-1-2(5)3(6)7/h3-4,6H,1,7H2.
What are the key properties of 1,3-dihydroxy-1-phosphanylpropan-2-one?
1,3-dihydroxy-1-phosphanylpropan-2-one has a molecular weight of 122.06 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-1-phosphanylpropan-2-one is sourced from PubChem (CID 174815751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).