(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol

C17H15FN4O2 — CID 126673600

IUPAC(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol
SMILES[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3cc(F)ccc32)[C@H]1O
InChIInChI=1S/C17H15FN4O2/c18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)22(15)16-9-24-8-13(17(16)23)20-21-19/h1-7,13,16-17,23H,8-9H2/t13-,16+,17+/m1/s1
InChIKeyKIZDUHOBKHCGOY-COXVUDFISA-N
MW326.33 g/mol
LogP3.54
Rot. Bonds2

About (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol

(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol (PubChem CID 126673600) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol.

Molecular Properties

Compound Name(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol
PubChem CID126673600
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol
SMILES[N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3cc(F)ccc32)[C@H]1O
InChIInChI=1S/C17H15FN4O2/c18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)22(15)16-9-24-8-13(17(16)23)20-21-19/h1-7,13,16-17,23H,8-9H2/t13-,16+,17+/m1/s1
InChIKeyKIZDUHOBKHCGOY-COXVUDFISA-N
XLogP3.54
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol?
The IUPAC name of (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol (CID 126673600) is (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol.
What is the SMILES notation for (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol?
The canonical SMILES for (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol is [N-]=[N+]=N[C@@H]1COC[C@H](n2c3ccccc3c3cc(F)ccc32)[C@H]1O.
What is the InChIKey of (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol?
The InChIKey is KIZDUHOBKHCGOY-COXVUDFISA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-10-5-6-15-12(7-10)11-3-1-2-4-14(11)22(15)16-9-24-8-13(17(16)23)20-21-19/h1-7,13,16-17,23H,8-9H2/t13-,16+,17+/m1/s1.
What are the key properties of (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol?
(3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol has a molecular weight of 326.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3-azido-5-(3-fluorocarbazol-9-yl)oxan-4-ol is sourced from PubChem (CID 126673600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).