(2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol

C19H27F3N2O10 — CID 10625193

About (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol

(2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol (PubChem CID 10625193) has the molecular formula C19H27F3N2O10 and a molecular weight of 500.42 g/mol. Its IUPAC name is (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol
• PubChem CID: 10625193
• Molecular Formula: C19H27F3N2O10
• Molecular Weight: 500.42 g/mol
• Exact Mass: 500.16
• IUPAC Name: (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol
• SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](/C=N/Nc1cccc(C(F)(F)F)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C19H27F3N2O10/c20-19(21,22)8-2-1-3-9(4-8)24-23-5-11(14(29)13(28)10(27)6-25)33-18-17(32)16(31)15(30)12(7-26)34-18/h1-5,10-18,24-32H,6-7H2/b23-5+/t10-,11+,12-,13-,14-,15-,16+,17-,18-/m1/s1
• InChIKey: IVPXJQHLBYTGGF-NVFHNBSVSA-N
• XLogP: -2.64
• TPSA: 204.69 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	500.42
LogP ≤ 5	-2.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol?

The IUPAC name of (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol (CID 10625193) is (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol.

What is the SMILES notation for (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol?

The canonical SMILES for (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](/C=N/Nc1cccc(C(F)(F)F)c1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol?

The InChIKey is IVPXJQHLBYTGGF-NVFHNBSVSA-N. The full InChI is InChI=1S/C19H27F3N2O10/c20-19(21,22)8-2-1-3-9(4-8)24-23-5-11(14(29)13(28)10(27)6-25)33-18-17(32)16(31)15(30)12(7-26)34-18/h1-5,10-18,24-32H,6-7H2/b23-5+/t10-,11+,12-,13-,14-,15-,16+,17-,18-/m1/s1.

What are the key properties of (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol?

(2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol has a molecular weight of 500.42 g/mol, XLogP of -2.64, 10 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6E)-6-[[3-(trifluoromethyl)phenyl]hydrazinylidene]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4-tetrol is sourced from PubChem (CID 10625193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).