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

C5H8FN3O3 — CID 57135978

IUPAC(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C5H8FN3O3/c6-3-4(11)2(1-10)12-5(3)8-9-7/h2-5,10-11H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeyXRXCXDXUNCLIFR-KKQCNMDGSA-N
MW177.14 g/mol
LogP-0.29
Rot. Bonds2

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

(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 57135978) has the molecular formula C5H8FN3O3 and a molecular weight of 177.14 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID57135978
Molecular FormulaC5H8FN3O3
Molecular Weight177.14 g/mol
Exact Mass177.05
IUPAC Name(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILES[N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C5H8FN3O3/c6-3-4(11)2(1-10)12-5(3)8-9-7/h2-5,10-11H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeyXRXCXDXUNCLIFR-KKQCNMDGSA-N
XLogP-0.29
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol 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,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124746214
(2R,3R,5R,6R)-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140539179
(2R,3S,4R,5R,6R)-6-azido-2-(hydroxymethyl)-5-(propan-2-ylideneamino)oxane-3,4-diol
CID 131844505
4-azido-6-(hydroxymethyl)oxane-2,3,5-triol
CID 12775534
(3S,4R,5S,6R)-3,4-diazido-6-(hydroxymethyl)oxane-2,5-diol
CID 10466374
(2R,3S,4R,5R)-3-fluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 18665788
N-[(2S,3R,4R,5S,6S)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11919003
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(2R,3S,4R,5S)-4-azido-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 90445154
CID 161312529
CID 161312529

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 57135978) is (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is [N-]=[N+]=N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is XRXCXDXUNCLIFR-KKQCNMDGSA-N. The full InChI is InChI=1S/C5H8FN3O3/c6-3-4(11)2(1-10)12-5(3)8-9-7/h2-5,10-11H,1H2/t2-,3+,4-,5-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 177.14 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-azido-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 57135978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).