(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol

C6H11FO5 — CID 5288493

IUPAC(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@]1(F)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyJZYFGOJLDZEICM-ZXXMMSQZSA-N
MW182.15 g/mol
LogP-2.24
Rot. Bonds1

About (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 5288493) has the molecular formula C6H11FO5 and a molecular weight of 182.15 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID5288493
Molecular FormulaC6H11FO5
Molecular Weight182.15 g/mol
Exact Mass182.06
IUPAC Name(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@]1(F)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyJZYFGOJLDZEICM-ZXXMMSQZSA-N
XLogP-2.24
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

D-Fructose
CID 2723872
D-Tagatose
CID 439312
Beta-D-Fructopyranose
CID 24310
1,5-Anhydroglucitol
CID 64960
L-Sorbose
CID 439192
D-Psicose
CID 441036
alpha-L-sorbopyranose
CID 441484
Fludeoxyglucose (18F)
CID 11469444
alpha-D-Tagatopyranose
CID 2724552
1,5-anhydro-D-mannitol
CID 445184
1,4-Sorbitan
CID 10953859
2,5-anhydro-D-mannitol
CID 73544

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol (CID 5288493) is (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol is OC[C@]1(F)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is JZYFGOJLDZEICM-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H11FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h3-5,8-11H,1-2H2/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 182.15 g/mol, XLogP of -2.24, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 5288493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).