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

C6H11FO5 — CID 166604477

IUPAC(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(F)C(O)[C@@H](O)C1O
InChIInChI=1S/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2?,3?,4-,5?,6?/m0/s1
InChIKeyATMYEINZLWEOQU-IYGHNQPLSA-N
MW182.15 g/mol
LogP-2.24
Rot. Bonds1

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

(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 166604477) has the molecular formula C6H11FO5 and a molecular weight of 182.15 g/mol. Its IUPAC name is (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID166604477
Molecular FormulaC6H11FO5
Molecular Weight182.15 g/mol
Exact Mass182.06
IUPAC Name(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(F)C(O)[C@@H](O)C1O
InChIInChI=1S/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2?,3?,4-,5?,6?/m0/s1
InChIKeyATMYEINZLWEOQU-IYGHNQPLSA-N
XLogP-2.24
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R)-2-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 101432360
acetic acid;(2S,3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131720789
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,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 22885881
(2R,3R,4R,5R)-6-fluoro-2-(hydroxymethyl)-5-iodooxane-3,4-diol
CID 139745590
(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,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11439335
(2R,3S,4R)-5-fluoro-2-(hydroxymethyl)-4-iodooxolan-3-ol
CID 139745602
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol (CID 166604477) is (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(F)C(O)[C@@H](O)C1O.
What is the InChIKey of (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is ATMYEINZLWEOQU-IYGHNQPLSA-N. The full InChI is InChI=1S/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2?,3?,4-,5?,6?/m0/s1.
What are the key properties of (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol?
(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 182.15 g/mol, XLogP of -2.24, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 166604477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).