(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane

C27H29FO4 — CID 59270262

IUPAC(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCC1O[C@H](F)C(OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H29FO4/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-27H,17-19H2,1H3/t20?,24?,25-,26?,27+/m1/s1
InChIKeyLTPFHXXARNMHNH-DIGLALQPSA-N
MW436.52 g/mol
LogP5.46
Rot. Bonds9

About (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane

(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 59270262) has the molecular formula C27H29FO4 and a molecular weight of 436.52 g/mol. Its IUPAC name is (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
PubChem CID59270262
Molecular FormulaC27H29FO4
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCC1O[C@H](F)C(OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H29FO4/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-27H,17-19H2,1H3/t20?,24?,25-,26?,27+/m1/s1
InChIKeyLTPFHXXARNMHNH-DIGLALQPSA-N
XLogP5.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5S,6S)-2-chloro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 102142905
(2S,3R,4R,5S,6S)-2-chloro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 11123271
(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
CID 11057757
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
CID 42609162
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(2R,3S,4S,5R,6R)-2-methyl-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11377812
(1R,3S,4S,5R,7R)-3-methyl-4,7-bis(phenylmethoxy)-2,6-dioxabicyclo[3.1.1]heptane
CID 134936663

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane (CID 59270262) is (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane is CC1O[C@H](F)C(OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is LTPFHXXARNMHNH-DIGLALQPSA-N. The full InChI is InChI=1S/C27H29FO4/c1-20-24(29-17-21-11-5-2-6-12-21)25(30-18-22-13-7-3-8-14-22)26(27(28)32-20)31-19-23-15-9-4-10-16-23/h2-16,20,24-27H,17-19H2,1H3/t20?,24?,25-,26?,27+/m1/s1.
What are the key properties of (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 436.52 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 59270262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).