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

C6H10F2O5 — CID 71165156

IUPAC(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
SMILESOC1[C@H](O)OC(C(F)F)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10F2O5/c7-5(8)4-2(10)1(9)3(11)6(12)13-4/h1-6,9-12H/t1-,2+,3?,4?,6+/m0/s1
InChIKeyCSWKRWZKIUAKKR-GGJCPTGHSA-N
MW200.14 g/mol
LogP-1.95
Rot. Bonds1

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

(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol (PubChem CID 71165156) has the molecular formula C6H10F2O5 and a molecular weight of 200.14 g/mol. Its IUPAC name is (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
PubChem CID71165156
Molecular FormulaC6H10F2O5
Molecular Weight200.14 g/mol
Exact Mass200.05
IUPAC Name(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
SMILESOC1[C@H](O)OC(C(F)F)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H10F2O5/c7-5(8)4-2(10)1(9)3(11)6(12)13-4/h1-6,9-12H/t1-,2+,3?,4?,6+/m0/s1
InChIKeyCSWKRWZKIUAKKR-GGJCPTGHSA-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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Related Compounds

6-[fluoro(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67723200
(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58060781
(3R,4S,5R,6S)-6-[amino(hydroxy)methyl]oxane-2,3,4,5-tetrol
CID 67877059
(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol
CID 172695707
(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
(2R,3S,4S,5R)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 22885266
hydroxy-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanesulfonic acid
CID 101411214
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
CID 70476129

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol (CID 71165156) is (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol is OC1[C@H](O)OC(C(F)F)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol?
The InChIKey is CSWKRWZKIUAKKR-GGJCPTGHSA-N. The full InChI is InChI=1S/C6H10F2O5/c7-5(8)4-2(10)1(9)3(11)6(12)13-4/h1-6,9-12H/t1-,2+,3?,4?,6+/m0/s1.
What are the key properties of (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol?
(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol 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 (2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 71165156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).