(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C27H29FO5 — CID 138518451

IUPAC(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1OC(COCc2ccccc2)[C@@H](F)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H29FO5/c28-24-23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(32-18-22-14-8-3-9-15-22)25(24)31-17-21-12-6-2-7-13-21/h1-15,23-27,29H,16-19H2/t23?,24-,25+,26?,27?/m1/s1
InChIKeyTVMGXKGTVIUPCH-UROKXXKISA-N
MW452.52 g/mol
LogP4.43
Rot. Bonds10

About (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 138518451) has the molecular formula C27H29FO5 and a molecular weight of 452.52 g/mol. Its IUPAC name is (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID138518451
Molecular FormulaC27H29FO5
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESOC1OC(COCc2ccccc2)[C@@H](F)[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C27H29FO5/c28-24-23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(32-18-22-14-8-3-9-15-22)25(24)31-17-21-12-6-2-7-13-21/h1-15,23-27,29H,16-19H2/t23?,24-,25+,26?,27?/m1/s1
InChIKeyTVMGXKGTVIUPCH-UROKXXKISA-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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Related Compounds

(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2,3-diol
CID 14139647
(2R,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59651545
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid
CID 102459903
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-[[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-2-ol
CID 54589858
(3S,6S)-3-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 163831014

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 138518451) is (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is OC1OC(COCc2ccccc2)[C@@H](F)[C@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is TVMGXKGTVIUPCH-UROKXXKISA-N. The full InChI is InChI=1S/C27H29FO5/c28-24-23(19-30-16-20-10-4-1-5-11-20)33-27(29)26(32-18-22-14-8-3-9-15-22)25(24)31-17-21-12-6-2-7-13-21/h1-15,23-27,29H,16-19H2/t23?,24-,25+,26?,27?/m1/s1.
What are the key properties of (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)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 (4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 138518451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).