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

C7H12F2O5 — CID 58060781

IUPAC(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(C(F)F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12F2O5/c8-7(9)6-5(13)4(12)3(11)2(1-10)14-6/h2-7,10-13H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyVPFUVFUFAHPETQ-GASJEMHNSA-N
MW214.16 g/mol
LogP-1.91
Rot. Bonds2

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

(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 58060781) has the molecular formula C7H12F2O5 and a molecular weight of 214.16 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID58060781
Molecular FormulaC7H12F2O5
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC Name(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(C(F)F)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H12F2O5/c8-7(9)6-5(13)4(12)3(11)2(1-10)14-6/h2-7,10-13H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKeyVPFUVFUFAHPETQ-GASJEMHNSA-N
XLogP-1.91
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
(2R,4S,5R)-6-(difluoromethyl)oxane-2,3,4,5-tetrol
CID 71165156
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
2-hydroxy-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetic acid
CID 134610723
2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77486705
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
2-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 142588205

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 58060781) is (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1OC(C(F)F)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is VPFUVFUFAHPETQ-GASJEMHNSA-N. The full InChI is InChI=1S/C7H12F2O5/c8-7(9)6-5(13)4(12)3(11)2(1-10)14-6/h2-7,10-13H,1H2/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
(3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 214.16 g/mol, XLogP of -1.91, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2-(difluoromethyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 58060781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).