[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid

C6H13O8P — CID 174675180

IUPAC[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid
SMILESCC(=O)C(O)(OCC(O)CO)P(=O)(O)O
InChIInChI=1S/C6H13O8P/c1-4(8)6(10,15(11,12)13)14-3-5(9)2-7/h5,7,9-10H,2-3H2,1H3,(H2,11,12,13)
InChIKeySORSAYSNFQIPGJ-UHFFFAOYSA-N
MW244.14 g/mol
LogP-2.23
Rot. Bonds6

About [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid

[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid (PubChem CID 174675180) has the molecular formula C6H13O8P and a molecular weight of 244.14 g/mol. Its IUPAC name is [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid.

Molecular Properties

Compound Name[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid
PubChem CID174675180
Molecular FormulaC6H13O8P
Molecular Weight244.14 g/mol
Exact Mass244.03
IUPAC Name[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid
SMILESCC(=O)C(O)(OCC(O)CO)P(=O)(O)O
InChIInChI=1S/C6H13O8P/c1-4(8)6(10,15(11,12)13)14-3-5(9)2-7/h5,7,9-10H,2-3H2,1H3,(H2,11,12,13)
InChIKeySORSAYSNFQIPGJ-UHFFFAOYSA-N
XLogP-2.23
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851
CID 175855975
CID 175855975
2,2,2-tris(2,3-dihydroxypropoxy)acetic acid
CID 88705292
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
CID 22994800
CID 87292853
CID 87292853
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid?
The IUPAC name of [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid (CID 174675180) is [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid.
What is the SMILES notation for [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid?
The canonical SMILES for [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid is CC(=O)C(O)(OCC(O)CO)P(=O)(O)O.
What is the InChIKey of [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid?
The InChIKey is SORSAYSNFQIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O8P/c1-4(8)6(10,15(11,12)13)14-3-5(9)2-7/h5,7,9-10H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid?
[1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid has a molecular weight of 244.14 g/mol, XLogP of -2.23, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroxypropoxy)-1-hydroxy-2-oxopropyl]phosphonic acid is sourced from PubChem (CID 174675180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).