[(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid

C8H17O5P — CID 168819936

IUPAC[(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid
SMILESCO[C@@H]1CCO[C@@H]1[C@@H](C)CP(=O)(O)O
InChIInChI=1S/C8H17O5P/c1-6(5-14(9,10)11)8-7(12-2)3-4-13-8/h6-8H,3-5H2,1-2H3,(H2,9,10,11)/t6-,7+,8+/m0/s1
InChIKeyBNGLYWKDIYUPPH-XLPZGREQSA-N
MW224.19 g/mol
LogP0.60
Rot. Bonds4

About [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid

[(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid (PubChem CID 168819936) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid.

Molecular Properties

Compound Name[(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid
PubChem CID168819936
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name[(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid
SMILESCO[C@@H]1CCO[C@@H]1[C@@H](C)CP(=O)(O)O
InChIInChI=1S/C8H17O5P/c1-6(5-14(9,10)11)8-7(12-2)3-4-13-8/h6-8H,3-5H2,1-2H3,(H2,9,10,11)/t6-,7+,8+/m0/s1
InChIKeyBNGLYWKDIYUPPH-XLPZGREQSA-N
XLogP0.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.60
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 [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid?
The IUPAC name of [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid (CID 168819936) is [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid.
What is the SMILES notation for [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid?
The canonical SMILES for [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid is CO[C@@H]1CCO[C@@H]1[C@@H](C)CP(=O)(O)O.
What is the InChIKey of [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid?
The InChIKey is BNGLYWKDIYUPPH-XLPZGREQSA-N. The full InChI is InChI=1S/C8H17O5P/c1-6(5-14(9,10)11)8-7(12-2)3-4-13-8/h6-8H,3-5H2,1-2H3,(H2,9,10,11)/t6-,7+,8+/m0/s1.
What are the key properties of [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid?
[(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid has a molecular weight of 224.19 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R,3R)-3-methoxyoxolan-2-yl]propyl]phosphonic acid is sourced from PubChem (CID 168819936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).