2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol

C10H17FO7 — CID 4631608

IUPAC2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol
SMILESOC1COC(OC2COCC(F)C2O)C(O)C1O
InChIInChI=1S/C10H17FO7/c11-4-1-16-3-6(7(4)13)18-10-9(15)8(14)5(12)2-17-10/h4-10,12-15H,1-3H2
InChIKeyFRYQUHPUEORVAG-UHFFFAOYSA-N
MW268.24 g/mol
LogP-2.46
Rot. Bonds2

About 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol

2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol (PubChem CID 4631608) has the molecular formula C10H17FO7 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol
PubChem CID4631608
Molecular FormulaC10H17FO7
Molecular Weight268.24 g/mol
Exact Mass268.10
IUPAC Name2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol
SMILESOC1COC(OC2COCC(F)C2O)C(O)C1O
InChIInChI=1S/C10H17FO7/c11-4-1-16-3-6(7(4)13)18-10-9(15)8(14)5(12)2-17-10/h4-10,12-15H,1-3H2
InChIKeyFRYQUHPUEORVAG-UHFFFAOYSA-N
XLogP-2.46
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 156619104
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2S,4S,5R)-2-[(3R,4R,6S)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-6-[(3R,4R,6R)-4,5-dihydroxy-6-[(3R,4R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 177095235
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 5289597
(2R,3R,4S,5R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 125121442
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-sulfanyloxan-3-yl]oxyoxane-3,4,5-triol
CID 10929340
(2R,3S,4R,5S)-3-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxyoxane-2,4,5-triol
CID 156616764
(2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-4-hydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 171933352
(2R,3R,4S,5R)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 91859051
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-5-hydroxy-4-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 171125263
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
CID 155889463

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol?
The IUPAC name of 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol (CID 4631608) is 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol is OC1COC(OC2COCC(F)C2O)C(O)C1O.
What is the InChIKey of 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol?
The InChIKey is FRYQUHPUEORVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO7/c11-4-1-16-3-6(7(4)13)18-10-9(15)8(14)5(12)2-17-10/h4-10,12-15H,1-3H2.
What are the key properties of 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol?
2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol has a molecular weight of 268.24 g/mol, XLogP of -2.46, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-hydroxyoxan-3-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 4631608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).