[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid

C7H13O6P — CID 147828707

IUPAC[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid
SMILESCO[C@@H]1CO[C@H](/C=C/P(=O)(O)O)C1O
InChIInChI=1S/C7H13O6P/c1-12-6-4-13-5(7(6)8)2-3-14(9,10)11/h2-3,5-8H,4H2,1H3,(H2,9,10,11)/b3-2+/t5-,6-,7?/m1/s1
InChIKeyAVVCSRCDJMGVFK-XRAGZIJYSA-N
MW224.15 g/mol
LogP-0.55
Rot. Bonds3

About [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid

[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid (PubChem CID 147828707) has the molecular formula C7H13O6P and a molecular weight of 224.15 g/mol. Its IUPAC name is [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid
PubChem CID147828707
Molecular FormulaC7H13O6P
Molecular Weight224.15 g/mol
Exact Mass224.04
IUPAC Name[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid
SMILESCO[C@@H]1CO[C@H](/C=C/P(=O)(O)O)C1O
InChIInChI=1S/C7H13O6P/c1-12-6-4-13-5(7(6)8)2-3-14(9,10)11/h2-3,5-8H,4H2,1H3,(H2,9,10,11)/b3-2+/t5-,6-,7?/m1/s1
InChIKeyAVVCSRCDJMGVFK-XRAGZIJYSA-N
XLogP-0.55
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid?
The IUPAC name of [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid (CID 147828707) is [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid.
What is the SMILES notation for [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid?
The canonical SMILES for [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid is CO[C@@H]1CO[C@H](/C=C/P(=O)(O)O)C1O.
What is the InChIKey of [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid?
The InChIKey is AVVCSRCDJMGVFK-XRAGZIJYSA-N. The full InChI is InChI=1S/C7H13O6P/c1-12-6-4-13-5(7(6)8)2-3-14(9,10)11/h2-3,5-8H,4H2,1H3,(H2,9,10,11)/b3-2+/t5-,6-,7?/m1/s1.
What are the key properties of [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid?
[(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid has a molecular weight of 224.15 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(2R,4R)-3-hydroxy-4-methoxyoxolan-2-yl]ethenyl]phosphonic acid is sourced from PubChem (CID 147828707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).