(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one

C6H9FO4 — CID 58957406

IUPAC(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
SMILESC[C@]1(F)C(=O)OC[C@@H](O)C1O
InChIInChI=1S/C6H9FO4/c1-6(7)4(9)3(8)2-11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4?,6-/m1/s1
InChIKeyYDJDQSWMXPFLIJ-RSJRKSSKSA-N
MW164.13 g/mol
LogP-1.01
Rot. Bonds

About (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one

(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one (PubChem CID 58957406) has the molecular formula C6H9FO4 and a molecular weight of 164.13 g/mol. Its IUPAC name is (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
PubChem CID58957406
Molecular FormulaC6H9FO4
Molecular Weight164.13 g/mol
Exact Mass164.05
IUPAC Name(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
SMILESC[C@]1(F)C(=O)OC[C@@H](O)C1O
InChIInChI=1S/C6H9FO4/c1-6(7)4(9)3(8)2-11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4?,6-/m1/s1
InChIKeyYDJDQSWMXPFLIJ-RSJRKSSKSA-N
XLogP-1.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-methyl (3R,5S)-5-hydroxyoxane-3-carboxylate
CID 69124467
(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydrofuran-2(3H)-one
CID 56605413
(4R,5R)-3,3-difluoro-4,5-dihydroxyoxan-2-one
CID 66884134
2-Deoxy-ribono-1,5-lactone
CID 22882834
(3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
CID 42627343
(3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-one
CID 72716063
(3R,4R,5R)-3,4,5-trihydroxy-3-methyloxan-2-one
CID 22887091
(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-methyloxetan-2-one
CID 396104
3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-one
CID 11593485
3-ethoxycarbonyl-3-fluoro-4-hydroxytetrahydro-4H-pyran
CID 19783098
(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxyMethyl)-3-Methyldihydrofuran-2(3H)-one
CID 24937909
(3S,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydrofuran-2(3H)-one
CID 25009313

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one?
The IUPAC name of (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one (CID 58957406) is (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one.
What is the SMILES notation for (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one?
The canonical SMILES for (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one is C[C@]1(F)C(=O)OC[C@@H](O)C1O.
What is the InChIKey of (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one?
The InChIKey is YDJDQSWMXPFLIJ-RSJRKSSKSA-N. The full InChI is InChI=1S/C6H9FO4/c1-6(7)4(9)3(8)2-11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4?,6-/m1/s1.
What are the key properties of (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one?
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one has a molecular weight of 164.13 g/mol, XLogP of -1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one is sourced from PubChem (CID 58957406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).