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

C6H10FIO4 — CID 139745590

IUPAC(2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol
SMILESOC[C@H]1OC(F)[C@H](I)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10FIO4/c7-6-3(8)5(11)4(10)2(1-9)12-6/h2-6,9-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChIKeyGFUZOVCUTIQGIL-QTVWNMPRSA-N
MW292.04 g/mol
LogP-0.80
Rot. Bonds1

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

(2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol (PubChem CID 139745590) has the molecular formula C6H10FIO4 and a molecular weight of 292.04 g/mol. Its IUPAC name is (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol
PubChem CID139745590
Molecular FormulaC6H10FIO4
Molecular Weight292.04 g/mol
Exact Mass291.96
IUPAC Name(2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol
SMILESOC[C@H]1OC(F)[C@H](I)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10FIO4/c7-6-3(8)5(11)4(10)2(1-9)12-6/h2-6,9-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChIKeyGFUZOVCUTIQGIL-QTVWNMPRSA-N
XLogP-0.80
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.04
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol
CID 139745602
(2R,3R,4R,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 101432360
(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166604477
(3S,4S,5R)-6-(hydroxymethyl)-3-iodooxane-2,4,5-triol
CID 89290988
(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 22885881
(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
(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol
CID 150341486
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
acetic acid;(2S,3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131720789

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol (CID 139745590) is (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol is OC[C@H]1OC(F)[C@H](I)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol?
The InChIKey is GFUZOVCUTIQGIL-QTVWNMPRSA-N. The full InChI is InChI=1S/C6H10FIO4/c7-6-3(8)5(11)4(10)2(1-9)12-6/h2-6,9-11H,1H2/t2-,3-,4+,5+,6?/m1/s1.
What are the key properties of (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol?
(2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol has a molecular weight of 292.04 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol is sourced from PubChem (CID 139745590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).