(2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol

C6H10F2O5 — CID 10420313

IUPAC(2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@@]1(F)O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyMGHYRMVVRYCAON-RWOPYEJCSA-N
MW200.14 g/mol
LogP-1.95
Rot. Bonds1

About (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol

(2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10420313) has the molecular formula C6H10F2O5 and a molecular weight of 200.14 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID10420313
Molecular FormulaC6H10F2O5
Molecular Weight200.14 g/mol
Exact Mass200.05
IUPAC Name(2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@@]1(F)O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyMGHYRMVVRYCAON-RWOPYEJCSA-N
XLogP-1.95
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol (CID 10420313) is (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol is OC[C@@]1(F)O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MGHYRMVVRYCAON-RWOPYEJCSA-N. The full InChI is InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6-/m1/s1.
What are the key properties of (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 200.14 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10420313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).