[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid

C6H11F2O6P — CID 173216740

IUPAC[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)C[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11F2O6P/c7-6(8,15(11,12)13)1-4-5(10)3(9)2-14-4/h3-5,9-10H,1-2H2,(H2,11,12,13)/t3-,4+,5-/m0/s1
InChIKeyTXCVURGIHLDXLW-LMVFSUKVSA-N
MW248.12 g/mol
LogP-0.73
Rot. Bonds3

About [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid

[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid (PubChem CID 173216740) has the molecular formula C6H11F2O6P and a molecular weight of 248.12 g/mol. Its IUPAC name is [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid
PubChem CID173216740
Molecular FormulaC6H11F2O6P
Molecular Weight248.12 g/mol
Exact Mass248.03
IUPAC Name[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid
SMILESO=P(O)(O)C(F)(F)C[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11F2O6P/c7-6(8,15(11,12)13)1-4-5(10)3(9)2-14-4/h3-5,9-10H,1-2H2,(H2,11,12,13)/t3-,4+,5-/m0/s1
InChIKeyTXCVURGIHLDXLW-LMVFSUKVSA-N
XLogP-0.73
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
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 [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid?
The IUPAC name of [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid (CID 173216740) is [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid.
What is the SMILES notation for [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid?
The canonical SMILES for [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid is O=P(O)(O)C(F)(F)C[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid?
The InChIKey is TXCVURGIHLDXLW-LMVFSUKVSA-N. The full InChI is InChI=1S/C6H11F2O6P/c7-6(8,15(11,12)13)1-4-5(10)3(9)2-14-4/h3-5,9-10H,1-2H2,(H2,11,12,13)/t3-,4+,5-/m0/s1.
What are the key properties of [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid?
[2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid has a molecular weight of 248.12 g/mol, XLogP of -0.73, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]-1,1-difluoroethyl]phosphonic acid is sourced from PubChem (CID 173216740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).