(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol

C6H12FNO4 — CID 22885881

IUPAC(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1C(F)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12FNO4/c7-6-3(8)5(11)4(10)2(1-9)12-6/h2-6,9-11H,1,8H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyJIWXPGRRGUZVHM-IVMDWMLBSA-N
MW181.16 g/mol
LogP-2.28
Rot. Bonds1

About (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 22885881) has the molecular formula C6H12FNO4 and a molecular weight of 181.16 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID22885881
Molecular FormulaC6H12FNO4
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC Name(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1C(F)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12FNO4/c7-6-3(8)5(11)4(10)2(1-9)12-6/h2-6,9-11H,1,8H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyJIWXPGRRGUZVHM-IVMDWMLBSA-N
XLogP-2.28
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(2R,3S,4R,5R)-5-amino-2-(hydroxymethyl)-6-sulfanyloxane-3,4-diol
CID 130967285
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol (CID 22885881) is (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol is N[C@H]1C(F)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is JIWXPGRRGUZVHM-IVMDWMLBSA-N. The full InChI is InChI=1S/C6H12FNO4/c7-6-3(8)5(11)4(10)2(1-9)12-6/h2-6,9-11H,1,8H2/t2-,3-,4-,5-,6?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 181.16 g/mol, XLogP of -2.28, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-amino-6-fluoro-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 22885881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).