(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol

C19H21FO4 — CID 15489662

IUPAC(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
SMILESOC1OCC(F)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H21FO4/c20-16-13-24-19(21)18(23-12-15-9-5-2-6-10-15)17(16)22-11-14-7-3-1-4-8-14/h1-10,16-19,21H,11-13H2/t16?,17-,18-,19?/m0/s1
InChIKeyZKKYYASFHRQTJO-YBXZHIRMSA-N
MW332.37 g/mol
LogP2.84
Rot. Bonds6

About (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol

(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol (PubChem CID 15489662) has the molecular formula C19H21FO4 and a molecular weight of 332.37 g/mol. Its IUPAC name is (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol.

Molecular Properties

Compound Name(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
PubChem CID15489662
Molecular FormulaC19H21FO4
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol
SMILESOC1OCC(F)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C19H21FO4/c20-16-13-24-19(21)18(23-12-15-9-5-2-6-10-15)17(16)22-11-14-7-3-1-4-8-14/h1-10,16-19,21H,11-13H2/t16?,17-,18-,19?/m0/s1
InChIKeyZKKYYASFHRQTJO-YBXZHIRMSA-N
XLogP2.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R,3R,4S,5S,6S)-6-(fluoromethyl)-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 141137019
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(3S,6R)-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11275756

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol?
The IUPAC name of (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol (CID 15489662) is (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol.
What is the SMILES notation for (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol?
The canonical SMILES for (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol is OC1OCC(F)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol?
The InChIKey is ZKKYYASFHRQTJO-YBXZHIRMSA-N. The full InChI is InChI=1S/C19H21FO4/c20-16-13-24-19(21)18(23-12-15-9-5-2-6-10-15)17(16)22-11-14-7-3-1-4-8-14/h1-10,16-19,21H,11-13H2/t16?,17-,18-,19?/m0/s1.
What are the key properties of (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol?
(3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol has a molecular weight of 332.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-ol is sourced from PubChem (CID 15489662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).