(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

C6H9FO4 — CID 25009313

IUPAC(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@]1(F)C(=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4-,6+/m1/s1
InChIKeyVNCJYMKHJWVTPK-KODRXGBYSA-N
MW164.13 g/mol
LogP-1.01
Rot. Bonds1

About (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one

(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (PubChem CID 25009313) has the molecular formula C6H9FO4 and a molecular weight of 164.13 g/mol. Its IUPAC name is (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
PubChem CID25009313
Molecular FormulaC6H9FO4
Molecular Weight164.13 g/mol
Exact Mass164.05
IUPAC Name(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESC[C@@]1(F)C(=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4-,6+/m1/s1
InChIKeyVNCJYMKHJWVTPK-KODRXGBYSA-N
XLogP-1.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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

2-Deoxy-D-Ribono-1,4-Lactone
CID 161815
4-Hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 4635870
L-threo-Pentonic acid, 2-deoxy-, gamma-lactone
CID 10942458
(4R)-4-hydroxy-5,5-dimethyloxolan-2-one
CID 15565117
2-C-Methyl-D-ribono-1,4-lactone
CID 11805069
Isosaccharino-1,4-lactone
CID 64785
2-Deoxy-L-erythro-pentono-gamma-lactone
CID 10240836
Acetic acid (2S,3R)-2-hydroxymethyl-5-oxo-tetrahydro-furan-3-yl ester
CID 44276164
(3S,5R)-3-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-one
CID 92227953
3,3-Difluoro-4-hydroxy-5-hydroxymethyl-dihydro-furan-2-one
CID 13477302
(2R,3R)-ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625044
(3R,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyldihydrofuran-2(3H)-one
CID 56605413

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The IUPAC name of (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (CID 25009313) is (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is C[C@@]1(F)C(=O)O[C@H](CO)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The InChIKey is VNCJYMKHJWVTPK-KODRXGBYSA-N. The full InChI is InChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3-,4-,6+/m1/s1.
What are the key properties of (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
(3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one has a molecular weight of 164.13 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 25009313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).