(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

C43H85FO11 — CID 163451240

IUPAC(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
SMILESCO[C@@H]1C(OC(C)(C)C)[C@@H](COC(C)(C)C)O[C@H]1C.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1F.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1O
InChIInChI=1S/C15H30O4.C14H27FO3.C14H28O4/c1-10-12(16-8)13(19-15(5,6)7)11(18-10)9-17-14(2,3)4;2*1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h10-13H,9H2,1-8H3;9-12H,8H2,1-7H3;9-12,15H,8H2,1-7H3/t10-,11+,12-,13?;2*9-,10+,11-,12?/m000/s1
InChIKeyBGTXMPVJSTUFPP-UXLLYNQSSA-N
MW797.14 g/mol
LogP8.03
Rot. Bonds10

About (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

(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 (PubChem CID 163451240) has the molecular formula C43H85FO11 and a molecular weight of 797.14 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163451240
Molecular FormulaC43H85FO11
Molecular Weight797.14 g/mol
Exact Mass796.61
IUPAC Name(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
SMILESCO[C@@H]1C(OC(C)(C)C)[C@@H](COC(C)(C)C)O[C@H]1C.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1F.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1O
InChIInChI=1S/C15H30O4.C14H27FO3.C14H28O4/c1-10-12(16-8)13(19-15(5,6)7)11(18-10)9-17-14(2,3)4;2*1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h10-13H,9H2,1-8H3;9-12H,8H2,1-7H3;9-12,15H,8H2,1-7H3/t10-,11+,12-,13?;2*9-,10+,11-,12?/m000/s1
InChIKeyBGTXMPVJSTUFPP-UXLLYNQSSA-N
XLogP8.03
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.14
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S,5R)-2,3-dimethyl-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 159631615
(2R,3R,5R)-2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolane;(2R,3R,5R)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 159631618
(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,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane;(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-ol
CID 158901360
(2S,3S,4R,5S)-2-methyl-4,5-bis[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 167640782
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
CID 122537677
(3S,4R,5S,6S)-4,5-dimethoxy-2,6-dimethyloxan-3-ol
CID 129044484
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(2S,3R,4R,5R,6R)-5-fluoro-4,6-dimethoxy-2-methyloxan-3-ol
CID 130757739
tris((6R)-2-(hydroxymethyl)-4-methoxy-6-methyloxane-3,5-diol);tris((6R)-2-(hydroxymethyl)-5-methoxy-6-methyloxane-3,4-diol);methane
CID 163806086
4-methoxy-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 166761639

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@@H]1C(OC(C)(C)C)[C@@H](COC(C)(C)C)O[C@H]1C.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1F.C[C@@H]1O[C@H](COC(C)(C)C)C(OC(C)(C)C)[C@H]1O.
What is the InChIKey of (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?
The InChIKey is BGTXMPVJSTUFPP-UXLLYNQSSA-N. The full InChI is InChI=1S/C15H30O4.C14H27FO3.C14H28O4/c1-10-12(16-8)13(19-15(5,6)7)11(18-10)9-17-14(2,3)4;2*1-9-11(15)12(18-14(5,6)7)10(17-9)8-16-13(2,3)4/h10-13H,9H2,1-8H3;9-12H,8H2,1-7H3;9-12,15H,8H2,1-7H3/t10-,11+,12-,13?;2*9-,10+,11-,12?/m000/s1.
What are the key properties of (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?
(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 has a molecular weight of 797.14 g/mol, XLogP of 8.03, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163451240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).