(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol

C12H15FO5 — CID 172642132

IUPAC(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
SMILESOCC1O[C@H](Oc2ccccc2)C(O)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H15FO5/c13-9-10(15)8(6-14)18-12(11(9)16)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8?,9-,10-,11?,12+/m1/s1
InChIKeyXAXKRCWYWVNELX-GFYNWQOFSA-N
MW258.25 g/mol
LogP-0.16
Rot. Bonds3

About (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol

(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol (PubChem CID 172642132) has the molecular formula C12H15FO5 and a molecular weight of 258.25 g/mol. Its IUPAC name is (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol.

Molecular Properties

Compound Name(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
PubChem CID172642132
Molecular FormulaC12H15FO5
Molecular Weight258.25 g/mol
Exact Mass258.09
IUPAC Name(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol
SMILESOCC1O[C@H](Oc2ccccc2)C(O)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H15FO5/c13-9-10(15)8(6-14)18-12(11(9)16)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8?,9-,10-,11?,12+/m1/s1
InChIKeyXAXKRCWYWVNELX-GFYNWQOFSA-N
XLogP-0.16
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R,6R)-5-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,4-diol
CID 172642131
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54569433
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-phenoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101471944
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(2S,4S,5S)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71182083
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-dimethoxy-6-phenoxyoxan-4-ol
CID 54040662
phenyl-[4-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methanone
CID 102410375
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol?
The IUPAC name of (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol (CID 172642132) is (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol.
What is the SMILES notation for (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol?
The canonical SMILES for (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol is OCC1O[C@H](Oc2ccccc2)C(O)[C@H](F)[C@@H]1O.
What is the InChIKey of (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol?
The InChIKey is XAXKRCWYWVNELX-GFYNWQOFSA-N. The full InChI is InChI=1S/C12H15FO5/c13-9-10(15)8(6-14)18-12(11(9)16)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8?,9-,10-,11?,12+/m1/s1.
What are the key properties of (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol?
(3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol has a molecular weight of 258.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-4-fluoro-2-(hydroxymethyl)-6-phenoxyoxane-3,5-diol is sourced from PubChem (CID 172642132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).