(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol

C5H8FIO3 — CID 139745602

IUPAC(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol
SMILESOC[C@H]1OC(F)[C@H](I)[C@H]1O
InChIInChI=1S/C5H8FIO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3-,4+,5?/m1/s1
InChIKeyCYYNZKPFYDJDQE-ZRMNMSDTSA-N
MW262.02 g/mol
LogP-0.16
Rot. Bonds1

About (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol

(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol (PubChem CID 139745602) has the molecular formula C5H8FIO3 and a molecular weight of 262.02 g/mol. Its IUPAC name is (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol
PubChem CID139745602
Molecular FormulaC5H8FIO3
Molecular Weight262.02 g/mol
Exact Mass261.95
IUPAC Name(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol
SMILESOC[C@H]1OC(F)[C@H](I)[C@H]1O
InChIInChI=1S/C5H8FIO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3-,4+,5?/m1/s1
InChIKeyCYYNZKPFYDJDQE-ZRMNMSDTSA-N
XLogP-0.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.02
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol
CID 139745590
(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
(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 22885881
(3S,4S,5R)-6-(hydroxymethyl)-3-iodooxane-2,4,5-triol
CID 89290988
(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol
CID 150341486
(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-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol
CID 73203933
acetic acid;(2S,3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131720789
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol?
The IUPAC name of (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol (CID 139745602) is (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol.
What is the SMILES notation for (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol?
The canonical SMILES for (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol is OC[C@H]1OC(F)[C@H](I)[C@H]1O.
What is the InChIKey of (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol?
The InChIKey is CYYNZKPFYDJDQE-ZRMNMSDTSA-N. The full InChI is InChI=1S/C5H8FIO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3-,4+,5?/m1/s1.
What are the key properties of (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol?
(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol has a molecular weight of 262.02 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol is sourced from PubChem (CID 139745602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).