2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol

C6H9FO5 — CID 78052323

IUPAC2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol
SMILESOCC1(F)OC=C(O)C(O)C1O
InChIInChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h1,4-5,8-11H,2H2
InChIKeyHSAYJMMHSWIZGR-UHFFFAOYSA-N
MW180.13 g/mol
LogP-1.20
Rot. Bonds1

About 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol

2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol (PubChem CID 78052323) has the molecular formula C6H9FO5 and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol.

Molecular Properties

Compound Name2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol
PubChem CID78052323
Molecular FormulaC6H9FO5
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol
SMILESOCC1(F)OC=C(O)C(O)C1O
InChIInChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h1,4-5,8-11H,2H2
InChIKeyHSAYJMMHSWIZGR-UHFFFAOYSA-N
XLogP-1.20
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

D-Galactal
CID 2734735
D-(+)-Glucal
CID 2734736
Lichenan
CID 439241
d-Glucal
CID 114633
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 89465
Dehydroglucose
CID 446012
GlyTouCan:G12582FS
CID 24885981
Dehydrogalactose
CID 45490001
(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 59658630
(2R,3R,4R)-2-(hydroxymethyl)-5-(trifluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 167408651
(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
CID 155943828
GlyTouCan:G57185VQ
CID 49867561

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol?
The IUPAC name of 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol (CID 78052323) is 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol.
What is the SMILES notation for 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol?
The canonical SMILES for 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol is OCC1(F)OC=C(O)C(O)C1O.
What is the InChIKey of 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol?
The InChIKey is HSAYJMMHSWIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h1,4-5,8-11H,2H2.
What are the key properties of 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol?
2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol has a molecular weight of 180.13 g/mol, XLogP of -1.20, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol is sourced from PubChem (CID 78052323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).