(2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol

C27H29FO5 — CID 134838290

IUPAC(2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILESO[C@@H]1OC(CF)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H29FO5/c28-16-23-24(30-17-20-10-4-1-5-11-20)25(31-18-21-12-6-2-7-13-21)26(27(29)33-23)32-19-22-14-8-3-9-15-22/h1-15,23-27,29H,16-19H2/t23?,24-,25?,26?,27-/m1/s1
InChIKeyIECMESMCNCLHFW-CFWNNJLBSA-N
MW452.52 g/mol
LogP4.43
Rot. Bonds10

About (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol

(2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol (PubChem CID 134838290) has the molecular formula C27H29FO5 and a molecular weight of 452.52 g/mol. Its IUPAC name is (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
PubChem CID134838290
Molecular FormulaC27H29FO5
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name(2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
SMILESO[C@@H]1OC(CF)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H29FO5/c28-16-23-24(30-17-20-10-4-1-5-11-20)25(31-18-21-12-6-2-7-13-21)26(27(29)33-23)32-19-22-14-8-3-9-15-22/h1-15,23-27,29H,16-19H2/t23?,24-,25?,26?,27-/m1/s1
InChIKeyIECMESMCNCLHFW-CFWNNJLBSA-N
XLogP4.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The IUPAC name of (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol (CID 134838290) is (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol is O[C@@H]1OC(CF)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
The InChIKey is IECMESMCNCLHFW-CFWNNJLBSA-N. The full InChI is InChI=1S/C27H29FO5/c28-16-23-24(30-17-20-10-4-1-5-11-20)25(31-18-21-12-6-2-7-13-21)26(27(29)33-23)32-19-22-14-8-3-9-15-22/h1-15,23-27,29H,16-19H2/t23?,24-,25?,26?,27-/m1/s1.
What are the key properties of (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol?
(2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol has a molecular weight of 452.52 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 134838290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).