[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium

C6H10F2O6 — CID 141047136

IUPAC[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium
SMILES[O-]/[O+]=C/[C@H](O)C(F)(F)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H10F2O6/c7-6(8,4(11)2-14-13)5(12)3(10)1-9/h2-5,9-12H,1H2/t3-,4+,5-/m1/s1
InChIKeyOQMXGNWTUISBAI-MROZADKFSA-N
MW216.14 g/mol
LogP-3.29
Rot. Bonds5

About [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium

[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium (PubChem CID 141047136) has the molecular formula C6H10F2O6 and a molecular weight of 216.14 g/mol. Its IUPAC name is [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium.

Molecular Properties

Compound Name[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium
PubChem CID141047136
Molecular FormulaC6H10F2O6
Molecular Weight216.14 g/mol
Exact Mass216.04
IUPAC Name[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium
SMILES[O-]/[O+]=C/[C@H](O)C(F)(F)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H10F2O6/c7-6(8,4(11)2-14-13)5(12)3(10)1-9/h2-5,9-12H,1H2/t3-,4+,5-/m1/s1
InChIKeyOQMXGNWTUISBAI-MROZADKFSA-N
XLogP-3.29
TPSA115.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium?
The IUPAC name of [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium (CID 141047136) is [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium.
What is the SMILES notation for [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium?
The canonical SMILES for [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium is [O-]/[O+]=C/[C@H](O)C(F)(F)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium?
The InChIKey is OQMXGNWTUISBAI-MROZADKFSA-N. The full InChI is InChI=1S/C6H10F2O6/c7-6(8,4(11)2-14-13)5(12)3(10)1-9/h2-5,9-12H,1H2/t3-,4+,5-/m1/s1.
What are the key properties of [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium?
[(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium has a molecular weight of 216.14 g/mol, XLogP of -3.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R)-3,3-difluoro-2,4,5,6-tetrahydroxyhexylidene]-oxidooxidanium is sourced from PubChem (CID 141047136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).