3-dimethoxyphosphorylpropane-1,2-diol

C5H13O5P — CID 129239844

IUPAC3-dimethoxyphosphorylpropane-1,2-diol
SMILESCOP(=O)(CC(O)CO)OC
InChIInChI=1S/C5H13O5P/c1-9-11(8,10-2)4-5(7)3-6/h5-7H,3-4H2,1-2H3
InChIKeyLEVIJUNQRFPJHG-UHFFFAOYSA-N
MW184.13 g/mol
LogP-0.17
Rot. Bonds5

About 3-dimethoxyphosphorylpropane-1,2-diol

3-dimethoxyphosphorylpropane-1,2-diol (PubChem CID 129239844) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 3-dimethoxyphosphorylpropane-1,2-diol.

Molecular Properties

Compound Name3-dimethoxyphosphorylpropane-1,2-diol
PubChem CID129239844
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name3-dimethoxyphosphorylpropane-1,2-diol
SMILESCOP(=O)(CC(O)CO)OC
InChIInChI=1S/C5H13O5P/c1-9-11(8,10-2)4-5(7)3-6/h5-7H,3-4H2,1-2H3
InChIKeyLEVIJUNQRFPJHG-UHFFFAOYSA-N
XLogP-0.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphoryltridecan-2-ol
CID 15584231
3-dimethoxyphosphoryl-2-methylpropanoic acid
CID 88734508
CID 87292853
CID 87292853
iron;phosphoric acid;propane-1,2,3-triol
CID 160506049
ethoxyethane;phosphoric acid;propane-1,2,3-triol
CID 87153916
(1-acetyloxy-3-dimethoxyphosphoryl-2-methylpropyl) acetate
CID 71392975
2-[(1R)-2-dimethoxyphosphoryl-1-hydroxyethyl]phenol
CID 102595355
5,6-dihydroxyhexyl methyl hydrogen phosphate
CID 21059323
[(3S)-1-dimethoxyphosphoryl-2-hydroxy-5-methylhexan-3-yl]-trimethylazanium
CID 59271727
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
CID 162081767
(4S)-1-dimethoxyphosphoryl-4-tripropylsilyloxynonadecan-2-ol
CID 51354936

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphorylpropane-1,2-diol?
The IUPAC name of 3-dimethoxyphosphorylpropane-1,2-diol (CID 129239844) is 3-dimethoxyphosphorylpropane-1,2-diol.
What is the SMILES notation for 3-dimethoxyphosphorylpropane-1,2-diol?
The canonical SMILES for 3-dimethoxyphosphorylpropane-1,2-diol is COP(=O)(CC(O)CO)OC.
What is the InChIKey of 3-dimethoxyphosphorylpropane-1,2-diol?
The InChIKey is LEVIJUNQRFPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-9-11(8,10-2)4-5(7)3-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-dimethoxyphosphorylpropane-1,2-diol?
3-dimethoxyphosphorylpropane-1,2-diol has a molecular weight of 184.13 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphorylpropane-1,2-diol is sourced from PubChem (CID 129239844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).