(3R,4R,5R)-2-fluorooxane-3,4,5-triol

C5H9FO4 — CID 22858205

IUPAC(3R,4R,5R)-2-fluorooxane-3,4,5-triol
SMILESO[C@@H]1[C@H](O)COC(F)[C@@H]1O
InChIInChI=1S/C5H9FO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1
InChIKeyWHVNYMMWPUHYES-SOOFDHNKSA-N
MW152.12 g/mol
LogP-1.61
Rot. Bonds

About (3R,4R,5R)-2-fluorooxane-3,4,5-triol

(3R,4R,5R)-2-fluorooxane-3,4,5-triol (PubChem CID 22858205) has the molecular formula C5H9FO4 and a molecular weight of 152.12 g/mol. Its IUPAC name is (3R,4R,5R)-2-fluorooxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5R)-2-fluorooxane-3,4,5-triol
PubChem CID22858205
Molecular FormulaC5H9FO4
Molecular Weight152.12 g/mol
Exact Mass152.05
IUPAC Name(3R,4R,5R)-2-fluorooxane-3,4,5-triol
SMILESO[C@@H]1[C@H](O)COC(F)[C@@H]1O
InChIInChI=1S/C5H9FO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1
InChIKeyWHVNYMMWPUHYES-SOOFDHNKSA-N
XLogP-1.61
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S,5S,6R)-2-Fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 444915
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 445257
(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 445914
GlyTouCan:G62741TN
CID 447053
Glucosyl fluoride
CID 150967
tetrahydro-2H-pyran-3-ol
CID 12256033
(2R,3S,4R,5R)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 5288493
GlyTouCan:G40061XG
CID 446875
GlyTouCan:G83446YT
CID 11744779
(2R,3S,4S,5S,6S)-5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 17753980
1,5-Anhydro-D-arabinitol
CID 18602743
5(R)-fluoro-beta-D-xylopyranose
CID 449219

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-fluorooxane-3,4,5-triol?
The IUPAC name of (3R,4R,5R)-2-fluorooxane-3,4,5-triol (CID 22858205) is (3R,4R,5R)-2-fluorooxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,5R)-2-fluorooxane-3,4,5-triol?
The canonical SMILES for (3R,4R,5R)-2-fluorooxane-3,4,5-triol is O[C@@H]1[C@H](O)COC(F)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-2-fluorooxane-3,4,5-triol?
The InChIKey is WHVNYMMWPUHYES-SOOFDHNKSA-N. The full InChI is InChI=1S/C5H9FO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1H2/t2-,3-,4-,5?/m1/s1.
What are the key properties of (3R,4R,5R)-2-fluorooxane-3,4,5-triol?
(3R,4R,5R)-2-fluorooxane-3,4,5-triol has a molecular weight of 152.12 g/mol, XLogP of -1.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-fluorooxane-3,4,5-triol is sourced from PubChem (CID 22858205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).