formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid

C17H23O6P — CID 174069662

IUPACformyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid
SMILESCO[C@@H]1[C@H](OC(C)C)[C@@H](/C=C/P(=O)(O)C=O)O[C@H]1c1ccccc1
InChIInChI=1S/C17H23O6P/c1-12(2)22-16-14(9-10-24(19,20)11-18)23-15(17(16)21-3)13-7-5-4-6-8-13/h4-12,14-17H,1-3H3,(H,19,20)/b10-9+/t14-,15+,16-,17+/m1/s1
InChIKeyIWJDGYFQJHJJDF-WCXLXNRASA-N
MW354.34 g/mol
LogP2.91
Rot. Bonds7

About formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid

formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid (PubChem CID 174069662) has the molecular formula C17H23O6P and a molecular weight of 354.34 g/mol. Its IUPAC name is formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid.

Molecular Properties

Compound Nameformyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid
PubChem CID174069662
Molecular FormulaC17H23O6P
Molecular Weight354.34 g/mol
Exact Mass354.12
IUPAC Nameformyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid
SMILESCO[C@@H]1[C@H](OC(C)C)[C@@H](/C=C/P(=O)(O)C=O)O[C@H]1c1ccccc1
InChIInChI=1S/C17H23O6P/c1-12(2)22-16-14(9-10-24(19,20)11-18)23-15(17(16)21-3)13-7-5-4-6-8-13/h4-12,14-17H,1-3H3,(H,19,20)/b10-9+/t14-,15+,16-,17+/m1/s1
InChIKeyIWJDGYFQJHJJDF-WCXLXNRASA-N
XLogP2.91
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid?
The IUPAC name of formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid (CID 174069662) is formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid.
What is the SMILES notation for formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid?
The canonical SMILES for formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid is CO[C@@H]1[C@H](OC(C)C)[C@@H](/C=C/P(=O)(O)C=O)O[C@H]1c1ccccc1.
What is the InChIKey of formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid?
The InChIKey is IWJDGYFQJHJJDF-WCXLXNRASA-N. The full InChI is InChI=1S/C17H23O6P/c1-12(2)22-16-14(9-10-24(19,20)11-18)23-15(17(16)21-3)13-7-5-4-6-8-13/h4-12,14-17H,1-3H3,(H,19,20)/b10-9+/t14-,15+,16-,17+/m1/s1.
What are the key properties of formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid?
formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid has a molecular weight of 354.34 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid is sourced from PubChem (CID 174069662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).