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

C6H11FO6 — CID 118961526

IUPAC(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@H](O)[C@](O)(F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO6/c7-6(12)4(10)3(9)2(1-8)13-5(6)11/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyPWKRGOPUVNGKKZ-DVKNGEFBSA-N
MW198.15 g/mol
LogP-2.92
Rot. Bonds1

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

(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 118961526) has the molecular formula C6H11FO6 and a molecular weight of 198.15 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID118961526
Molecular FormulaC6H11FO6
Molecular Weight198.15 g/mol
Exact Mass198.05
IUPAC Name(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@H](O)[C@](O)(F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11FO6/c7-6(12)4(10)3(9)2(1-8)13-5(6)11/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyPWKRGOPUVNGKKZ-DVKNGEFBSA-N
XLogP-2.92
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 5-2.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(3S,4R,5R,6S)-6-(hydroxymethyl)-3-(methylamino)oxane-2,3,4,5-tetrol
CID 176884296
N-[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 56606853
N-[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 18659288
(2R,3R,4S,5R)-2-fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 150112365
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258
(3R,4S,5S,6R)-3-(2-aminoethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91278110
(3R,4S,5R,6R)-3-azido-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 175255242
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 118961526) is (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@@H](O)[C@](O)(F)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is PWKRGOPUVNGKKZ-DVKNGEFBSA-N. The full InChI is InChI=1S/C6H11FO6/c7-6(12)4(10)3(9)2(1-8)13-5(6)11/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 198.15 g/mol, XLogP of -2.92, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 118961526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).