(2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol

C6H10FN3O3 — CID 130848212

IUPAC(2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol
SMILESC[C@H]1O[C@H](F)[C@H](O)[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H10FN3O3/c1-2-3(9-10-8)4(11)5(12)6(7)13-2/h2-6,11-12H,1H3/t2-,3+,4+,5-,6+/m1/s1
InChIKeyIUVUDSJSUWDLOJ-PHYPRBDBSA-N
MW191.16 g/mol
LogP0.10
Rot. Bonds1

About (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol

(2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol (PubChem CID 130848212) has the molecular formula C6H10FN3O3 and a molecular weight of 191.16 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol
PubChem CID130848212
Molecular FormulaC6H10FN3O3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name(2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol
SMILESC[C@H]1O[C@H](F)[C@H](O)[C@@H](O)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C6H10FN3O3/c1-2-3(9-10-8)4(11)5(12)6(7)13-2/h2-6,11-12H,1H3/t2-,3+,4+,5-,6+/m1/s1
InChIKeyIUVUDSJSUWDLOJ-PHYPRBDBSA-N
XLogP0.10
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 50.10
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol (CID 130848212) is (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol is C[C@H]1O[C@H](F)[C@H](O)[C@@H](O)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol?
The InChIKey is IUVUDSJSUWDLOJ-PHYPRBDBSA-N. The full InChI is InChI=1S/C6H10FN3O3/c1-2-3(9-10-8)4(11)5(12)6(7)13-2/h2-6,11-12H,1H3/t2-,3+,4+,5-,6+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol?
(2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol has a molecular weight of 191.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-5-azido-2-fluoro-6-methyloxane-3,4-diol is sourced from PubChem (CID 130848212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).