(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol

C6H11FO5 — CID 7191877

IUPAC(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CF)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeySHFYXYMHVMDNPY-FPRJBGLDSA-N
MW182.15 g/mol
LogP-2.24
Rot. Bonds1

About (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol

(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol (PubChem CID 7191877) has the molecular formula C6H11FO5 and a molecular weight of 182.15 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
PubChem CID7191877
Molecular FormulaC6H11FO5
Molecular Weight182.15 g/mol
Exact Mass182.06
IUPAC Name(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
SMILESO[C@@H]1[C@@H](O)[C@H](O)O[C@H](CF)[C@@H]1O
InChIInChI=1S/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeySHFYXYMHVMDNPY-FPRJBGLDSA-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

(2R,3R,4R,5S,6R)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
CID 51398010
(2S,3S,4S,5R,6R)-2-(fluoromethyl)-6-[(2S,3S,4R,5R,6S)-2-(fluoromethyl)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 91527553
(3R,4R,5R,6R)-5-fluoro-6-(fluoromethyl)oxane-2,3,4-triol
CID 55219287
(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5R,6S)-6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91848802
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol (CID 7191877) is (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol is O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CF)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol?
The InChIKey is SHFYXYMHVMDNPY-FPRJBGLDSA-N. The full InChI is InChI=1S/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol 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,3R,4S,5R,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 7191877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).