(2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide

C12H21FI3N3O9 — CID 159728503

About (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide

(2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide (PubChem CID 159728503) has the molecular formula C12H21FI3N3O9 and a molecular weight of 751.02 g/mol. Its IUPAC name is (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide.

Molecular Properties

• Compound Name: (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide
• PubChem CID: 159728503
• Molecular Formula: C12H21FI3N3O9
• Molecular Weight: 751.02 g/mol
• Exact Mass: 750.84
• IUPAC Name: (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide
• SMILES: I.II.[N-]=[N+]=N[C@@H]1C(CO)O[C@H](O[C@@H]2C(CO)O[C@H](F)C(O)[C@H]2O)C(O)[C@H]1O
• InChI: InChI=1S/C12H20FN3O9.I2.HI/c13-11-8(21)7(20)10(4(2-18)23-11)25-12-9(22)6(19)5(15-16-14)3(1-17)24-12;1-2;/h3-12,17-22H,1-2H2;;1H/t3?,4?,5-,6+,7-,8?,9?,10-,11+,12-;;/m1../s1
• InChIKey: HZLDYKGVEXOJJO-CVXVCJFQSA-N
• XLogP: -0.71
• TPSA: 197.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.02
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide?

The IUPAC name of (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide (CID 159728503) is (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide.

What is the SMILES notation for (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide?

The canonical SMILES for (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide is I.II.[N-]=[N+]=N[C@@H]1C(CO)O[C@H](O[C@@H]2C(CO)O[C@H](F)C(O)[C@H]2O)C(O)[C@H]1O.

What is the InChIKey of (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide?

The InChIKey is HZLDYKGVEXOJJO-CVXVCJFQSA-N. The full InChI is InChI=1S/C12H20FN3O9.I2.HI/c13-11-8(21)7(20)10(4(2-18)23-11)25-12-9(22)6(19)5(15-16-14)3(1-17)24-12;1-2;/h3-12,17-22H,1-2H2;;1H/t3?,4?,5-,6+,7-,8?,9?,10-,11+,12-;;/m1../s1.

What are the key properties of (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide?

(2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide has a molecular weight of 751.02 g/mol, XLogP of -0.71, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-5-azido-2-[(3S,4R,6R)-6-fluoro-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol;molecular iodine;hydroiodide is sourced from PubChem (CID 159728503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).