(2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C37H36F6O6 — CID 100996970

IUPAC(2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESFC(F)(F)C(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C37H36F6O6/c38-36(39,40)35(37(41,42)43)49-34-33(47-24-29-19-11-4-12-20-29)32(46-23-28-17-9-3-10-18-28)31(45-22-27-15-7-2-8-16-27)30(48-34)25-44-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34-/m1/s1
InChIKeyGDKJCXPVBZYRCI-BGSSSCFASA-N
MW690.68 g/mol
LogP8.19
Rot. Bonds15

About (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 100996970) has the molecular formula C37H36F6O6 and a molecular weight of 690.68 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID100996970
Molecular FormulaC37H36F6O6
Molecular Weight690.68 g/mol
Exact Mass690.24
IUPAC Name(2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESFC(F)(F)C(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C37H36F6O6/c38-36(39,40)35(37(41,42)43)49-34-33(47-24-29-19-11-4-12-20-29)32(46-23-28-17-9-3-10-18-28)31(45-22-27-15-7-2-8-16-27)30(48-34)25-44-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34-/m1/s1
InChIKeyGDKJCXPVBZYRCI-BGSSSCFASA-N
XLogP8.19
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.68
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 100996970) is (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is FC(F)(F)C(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is GDKJCXPVBZYRCI-BGSSSCFASA-N. The full InChI is InChI=1S/C37H36F6O6/c38-36(39,40)35(37(41,42)43)49-34-33(47-24-29-19-11-4-12-20-29)32(46-23-28-17-9-3-10-18-28)31(45-22-27-15-7-2-8-16-27)30(48-34)25-44-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 690.68 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 100996970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).