(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol

C16H31FO7 — CID 158901360

IUPAC(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
SMILESCOC[C@H]1O[C@@H](C)C(F)[C@H]1OC.COC[C@H]1O[C@@H](C)C(O)[C@H]1OC
InChIInChI=1S/C8H15FO3.C8H16O4/c2*1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3/t2*5-,6+,7?,8-/m00/s1
InChIKeyJFMHHIOVFZKQHK-CMXSJKTRSA-N
MW354.42 g/mol
LogP0.57
Rot. Bonds6

About (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol

(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol (PubChem CID 158901360) has the molecular formula C16H31FO7 and a molecular weight of 354.42 g/mol. Its IUPAC name is (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
PubChem CID158901360
Molecular FormulaC16H31FO7
Molecular Weight354.42 g/mol
Exact Mass354.21
IUPAC Name(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
SMILESCOC[C@H]1O[C@@H](C)C(F)[C@H]1OC.COC[C@H]1O[C@@H](C)C(O)[C@H]1OC
InChIInChI=1S/C8H15FO3.C8H16O4/c2*1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3/t2*5-,6+,7?,8-/m00/s1
InChIKeyJFMHHIOVFZKQHK-CMXSJKTRSA-N
XLogP0.57
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901361
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(2S,3S,5R)-3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-3-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2S,3S,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 163451240
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
[4-acetyloxy-5-hydroxy-2-(methoxymethyl)-6-methyloxan-3-yl] acetate
CID 129093778
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
CID 154006888
CID 154006888
[(2R,3S,4S,5S)-4-hydroxy-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphinic acid
CID 158256198
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
(2S,3R,4R,5R,6R)-5-fluoro-4,6-dimethoxy-2-methyloxan-3-ol
CID 130757739
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol (CID 158901360) is (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol is COC[C@H]1O[C@@H](C)C(F)[C@H]1OC.COC[C@H]1O[C@@H](C)C(O)[C@H]1OC.
What is the InChIKey of (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol?
The InChIKey is JFMHHIOVFZKQHK-CMXSJKTRSA-N. The full InChI is InChI=1S/C8H15FO3.C8H16O4/c2*1-5-7(9)8(11-3)6(12-5)4-10-2/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3/t2*5-,6+,7?,8-/m00/s1.
What are the key properties of (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol?
(2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol has a molecular weight of 354.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 158901360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).