(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol

C6H11FO4 — CID 56605047

IUPAC(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol
SMILESC[C@]1(F)C(O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H11FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-5,8-10H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKeyMIRAFRWQVINNHT-DUVQVXGLSA-N
MW166.15 g/mol
LogP-1.22
Rot. Bonds1

About (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol

(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol (PubChem CID 56605047) has the molecular formula C6H11FO4 and a molecular weight of 166.15 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol
PubChem CID56605047
Molecular FormulaC6H11FO4
Molecular Weight166.15 g/mol
Exact Mass166.06
IUPAC Name(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol
SMILESC[C@]1(F)C(O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C6H11FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-5,8-10H,2H2,1H3/t3-,4-,5?,6-/m1/s1
InChIKeyMIRAFRWQVINNHT-DUVQVXGLSA-N
XLogP-1.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol?
The IUPAC name of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol (CID 56605047) is (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol?
The canonical SMILES for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol is C[C@]1(F)C(O)O[C@H](CO)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol?
The InChIKey is MIRAFRWQVINNHT-DUVQVXGLSA-N. The full InChI is InChI=1S/C6H11FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-5,8-10H,2H2,1H3/t3-,4-,5?,6-/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol?
(3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol has a molecular weight of 166.15 g/mol, XLogP of -1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-fluoro-5-(hydroxymethyl)-3-methyloxolane-2,4-diol is sourced from PubChem (CID 56605047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).