(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C7H12F2O6 — CID 170546402

IUPAC(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)(C(F)F)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12F2O6/c8-6(9)7(14)5(13)4(12)3(11)2(1-10)15-7/h2-6,10-14H,1H2/t2-,3+,4+,5-,7?/m1/s1
InChIKeyXYDHDSAPJFLWOF-NERHRWIRSA-N
MW230.16 g/mol
LogP-2.59
Rot. Bonds2

About (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 170546402) has the molecular formula C7H12F2O6 and a molecular weight of 230.16 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID170546402
Molecular FormulaC7H12F2O6
Molecular Weight230.16 g/mol
Exact Mass230.06
IUPAC Name(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)(C(F)F)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H12F2O6/c8-6(9)7(14)5(13)4(12)3(11)2(1-10)15-7/h2-6,10-14H,1H2/t2-,3+,4+,5-,7?/m1/s1
InChIKeyXYDHDSAPJFLWOF-NERHRWIRSA-N
XLogP-2.59
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 170546402) is (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1OC(O)(C(F)F)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is XYDHDSAPJFLWOF-NERHRWIRSA-N. The full InChI is InChI=1S/C7H12F2O6/c8-6(9)7(14)5(13)4(12)3(11)2(1-10)15-7/h2-6,10-14H,1H2/t2-,3+,4+,5-,7?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 230.16 g/mol, XLogP of -2.59, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 170546402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).