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

C6H10FN3O4 — CID 150600414

IUPAC(2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILES[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@@H](F)O[C@@H]1CO
InChIInChI=1S/C6H10FN3O4/c7-6-5(13)4(12)3(9-10-8)2(1-11)14-6/h2-6,11-13H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyIRTGQIIRCGACAN-DVKNGEFBSA-N
MW207.16 g/mol
LogP-0.93
Rot. Bonds2

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

(2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 150600414) has the molecular formula C6H10FN3O4 and a molecular weight of 207.16 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID150600414
Molecular FormulaC6H10FN3O4
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name(2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILES[N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@@H](F)O[C@@H]1CO
InChIInChI=1S/C6H10FN3O4/c7-6-5(13)4(12)3(9-10-8)2(1-11)14-6/h2-6,11-13H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyIRTGQIIRCGACAN-DVKNGEFBSA-N
XLogP-0.93
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 150600414) is (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol is [N-]=[N+]=N[C@H]1[C@H](O)[C@@H](O)[C@@H](F)O[C@@H]1CO.
What is the InChIKey of (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is IRTGQIIRCGACAN-DVKNGEFBSA-N. The full InChI is InChI=1S/C6H10FN3O4/c7-6-5(13)4(12)3(9-10-8)2(1-11)14-6/h2-6,11-13H,1H2/t2-,3-,4+,5-,6+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 207.16 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-5-azido-2-fluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 150600414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).