(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane

C9H17FO4 — CID 134895222

IUPAC(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
SMILESCO[C@@H]1[C@@H](OC)[C@@H](OC)C(F)O[C@H]1C
InChIInChI=1S/C9H17FO4/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5/h5-9H,1-4H3/t5-,6-,7+,8+,9?/m0/s1
InChIKeyYEIGUXKKVGWSAF-WMOCKQOXSA-N
MW208.23 g/mol
LogP0.75
Rot. Bonds3

About (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane

(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane (PubChem CID 134895222) has the molecular formula C9H17FO4 and a molecular weight of 208.23 g/mol. Its IUPAC name is (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane.

Molecular Properties

Compound Name(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
PubChem CID134895222
Molecular FormulaC9H17FO4
Molecular Weight208.23 g/mol
Exact Mass208.11
IUPAC Name(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
SMILESCO[C@@H]1[C@@H](OC)[C@@H](OC)C(F)O[C@H]1C
InChIInChI=1S/C9H17FO4/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5/h5-9H,1-4H3/t5-,6-,7+,8+,9?/m0/s1
InChIKeyYEIGUXKKVGWSAF-WMOCKQOXSA-N
XLogP0.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane with MolForge

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Related Compounds

(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
(3S,4R,5R,6S)-2-iodo-3,4,5-trimethoxy-6-methyloxane
CID 160900646
ethane;(2R,5S)-3,4,5-trimethoxy-6-methyloxan-2-ol
CID 142172396
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
N-(3,4,5-trimethoxy-6-methyloxan-2-yl)hydroxylamine
CID 91296350
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-fluoro-2-methyloxan-3-yl] acetate
CID 124525156
3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
CID 20816384
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
CID 142763970

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane?
The IUPAC name of (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane (CID 134895222) is (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane.
What is the SMILES notation for (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane?
The canonical SMILES for (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane is CO[C@@H]1[C@@H](OC)[C@@H](OC)C(F)O[C@H]1C.
What is the InChIKey of (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane?
The InChIKey is YEIGUXKKVGWSAF-WMOCKQOXSA-N. The full InChI is InChI=1S/C9H17FO4/c1-5-6(11-2)7(12-3)8(13-4)9(10)14-5/h5-9H,1-4H3/t5-,6-,7+,8+,9?/m0/s1.
What are the key properties of (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane?
(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane has a molecular weight of 208.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane is sourced from PubChem (CID 134895222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).