(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol

C14H19FO4 — CID 14052144

IUPAC(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
SMILESCO[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1F
InChIInChI=1S/C14H19FO4/c1-9-13(12(16)11(15)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-14,16H,8H2,1-2H3/t9-,11+,12-,13+,14+/m0/s1
InChIKeyASKHVMHIQMRPQZ-JWZAGAIZSA-N
MW270.30 g/mol
LogP1.66
Rot. Bonds4

About (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol

(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol (PubChem CID 14052144) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
PubChem CID14052144
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
SMILESCO[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1F
InChIInChI=1S/C14H19FO4/c1-9-13(12(16)11(15)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-14,16H,8H2,1-2H3/t9-,11+,12-,13+,14+/m0/s1
InChIKeyASKHVMHIQMRPQZ-JWZAGAIZSA-N
XLogP1.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol with MolForge

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Related Compounds

(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2S,3R,4S,5R,6S)-6-methoxy-2-[(2R,3S)-3-methyloxiran-2-yl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 14525549
(2S,3R,4R,5R,6S)-2-(4-methoxyphenoxy)-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 25178075
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5S,6R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 102215626
(2S,3S,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 15000119

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol?
The IUPAC name of (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol (CID 14052144) is (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol?
The canonical SMILES for (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol is CO[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1F.
What is the InChIKey of (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol?
The InChIKey is ASKHVMHIQMRPQZ-JWZAGAIZSA-N. The full InChI is InChI=1S/C14H19FO4/c1-9-13(12(16)11(15)14(17-2)19-9)18-8-10-6-4-3-5-7-10/h3-7,9,11-14,16H,8H2,1-2H3/t9-,11+,12-,13+,14+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol?
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol has a molecular weight of 270.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol is sourced from PubChem (CID 14052144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).