(2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol

C6H9F2N3O3 — CID 101360589

IUPAC(2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol
SMILES[N-]=[N+]=NC[C@H]1O[C@@H](F)[C@H](F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H9F2N3O3/c7-3-5(13)4(12)2(1-10-11-9)14-6(3)8/h2-6,12-13H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyZQLMZQNHYJQCJC-VFUOTHLCSA-N
MW209.15 g/mol
LogP0.05
Rot. Bonds2

About (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol

(2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol (PubChem CID 101360589) has the molecular formula C6H9F2N3O3 and a molecular weight of 209.15 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol
PubChem CID101360589
Molecular FormulaC6H9F2N3O3
Molecular Weight209.15 g/mol
Exact Mass209.06
IUPAC Name(2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol
SMILES[N-]=[N+]=NC[C@H]1O[C@@H](F)[C@H](F)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H9F2N3O3/c7-3-5(13)4(12)2(1-10-11-9)14-6(3)8/h2-6,12-13H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyZQLMZQNHYJQCJC-VFUOTHLCSA-N
XLogP0.05
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 50.05
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,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol (CID 101360589) is (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol is [N-]=[N+]=NC[C@H]1O[C@@H](F)[C@H](F)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol?
The InChIKey is ZQLMZQNHYJQCJC-VFUOTHLCSA-N. The full InChI is InChI=1S/C6H9F2N3O3/c7-3-5(13)4(12)2(1-10-11-9)14-6(3)8/h2-6,12-13H,1H2/t2-,3-,4+,5-,6-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol?
(2R,3R,4S,5R,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol has a molecular weight of 209.15 g/mol, XLogP of 0.05, 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,6S)-2-(azidomethyl)-5,6-difluorooxane-3,4-diol is sourced from PubChem (CID 101360589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).