(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate

C5H8FO5- — CID 46936721

IUPAC(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate
SMILES[O-][C@H]1O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5+/m1/s1
InChIKeyCSWSGZBYLQUXQI-VQOCEVNASA-N
MW167.11 g/mol
LogP-2.92
Rot. Bonds

About (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate

(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate (PubChem CID 46936721) has the molecular formula C5H8FO5- and a molecular weight of 167.11 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate.

Molecular Properties

Compound Name(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate
PubChem CID46936721
Molecular FormulaC5H8FO5-
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate
SMILES[O-][C@H]1O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5+/m1/s1
InChIKeyCSWSGZBYLQUXQI-VQOCEVNASA-N
XLogP-2.92
TPSA92.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 5-2.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxyoxan-2-olate
CID 5289591
(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166604477
6-formyl-3,4,5-trihydroxyoxan-2-olate
CID 23360996
sodium (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-olate
CID 67553377
acetic acid;(2S,3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131720789
(2R,3R,4R,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 101432360
(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol
CID 159037991
(1S,2S,4S,5S)-6-fluorocyclohexane-1,2,3,4,5-pentol
CID 73352744
(3R,4R,5R)-2-fluorooxane-3,4,5-triol
CID 22858205
(3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-olate
CID 21121205
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11439335
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate?
The IUPAC name of (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate (CID 46936721) is (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate.
What is the SMILES notation for (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate?
The canonical SMILES for (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate is [O-][C@H]1O[C@@H](F)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate?
The InChIKey is CSWSGZBYLQUXQI-VQOCEVNASA-N. The full InChI is InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate?
(2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate has a molecular weight of 167.11 g/mol, XLogP of -2.92, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxyoxan-2-olate is sourced from PubChem (CID 46936721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).