[(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

C22H25FO5 — CID 170239659

IUPAC[(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC[C@H](F)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C22H25FO5/c1-16(24)25-15-20-22(28-13-18-10-6-3-7-11-18)21(19(23)14-26-20)27-12-17-8-4-2-5-9-17/h2-11,19-22H,12-15H2,1H3/t19-,20+,21+,22+/m0/s1
InChIKeyCPHDIXWPHPKCBD-DXBBTUNJSA-N
MW388.44 g/mol
LogP3.46
Rot. Bonds8

About [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

[(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate (PubChem CID 170239659) has the molecular formula C22H25FO5 and a molecular weight of 388.44 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
PubChem CID170239659
Molecular FormulaC22H25FO5
Molecular Weight388.44 g/mol
Exact Mass388.17
IUPAC Name[(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC[C@H](F)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C22H25FO5/c1-16(24)25-15-20-22(28-13-18-10-6-3-7-11-18)21(19(23)14-26-20)27-12-17-8-4-2-5-9-17/h2-11,19-22H,12-15H2,1H3/t19-,20+,21+,22+/m0/s1
InChIKeyCPHDIXWPHPKCBD-DXBBTUNJSA-N
XLogP3.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dibenzyl succinate
CID 7653
Howiinol A
CID 6440329
Dibenzyl oxalate
CID 82058
1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
CID 95008
Ethanedioic acid, 1,2-bis[(4-methylphenyl)methyl] ester
CID 87522
Dibenzyl malonate
CID 84754
Diphenylmethyl acetate
CID 274281
1,3-Propanediol, 1-phenyl-, 1,3-diacetate
CID 97745
2,5-Dimethoxy-2,5-diphenyl-1,4-dioxane
CID 5059104
(3,4,5-Triacetyloxy-6-phenyloxan-2-yl)methyl acetate
CID 3453887
1,4-DI-O-Benzylidene-5-deoxy-DL-ribitol
CID 298285
1,2-Propanediol, 3-benzyloxy-1,2-diacetyl-
CID 114563

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate (CID 170239659) is [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC[C@H](F)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The InChIKey is CPHDIXWPHPKCBD-DXBBTUNJSA-N. The full InChI is InChI=1S/C22H25FO5/c1-16(24)25-15-20-22(28-13-18-10-6-3-7-11-18)21(19(23)14-26-20)27-12-17-8-4-2-5-9-17/h2-11,19-22H,12-15H2,1H3/t19-,20+,21+,22+/m0/s1.
What are the key properties of [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
[(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate has a molecular weight of 388.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 170239659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).