[(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

C19H16FN3O5 — CID 18666645

IUPAC[(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
SMILES[N-]=[N+]=NC1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F
InChIInChI=1S/C19H16FN3O5/c20-15-16(28-19(25)13-9-5-2-6-10-13)14(27-17(15)22-23-21)11-26-18(24)12-7-3-1-4-8-12/h1-10,14-17H,11H2/t14-,15+,16-,17?/m1/s1
InChIKeyGNDBWIFFBHMUPT-LVYZTWJOSA-N
MW385.35 g/mol
LogP3.44
Rot. Bonds6

About [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

[(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate (PubChem CID 18666645) has the molecular formula C19H16FN3O5 and a molecular weight of 385.35 g/mol. Its IUPAC name is [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
PubChem CID18666645
Molecular FormulaC19H16FN3O5
Molecular Weight385.35 g/mol
Exact Mass385.11
IUPAC Name[(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
SMILES[N-]=[N+]=NC1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F
InChIInChI=1S/C19H16FN3O5/c20-15-16(28-19(25)13-9-5-2-6-10-13)14(27-17(15)22-23-21)11-26-18(24)12-7-3-1-4-8-12/h1-10,14-17H,11H2/t14-,15+,16-,17?/m1/s1
InChIKeyGNDBWIFFBHMUPT-LVYZTWJOSA-N
XLogP3.44
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 59915156
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(2S,3S,4S)-5-acetyloxy-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 70023780
[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423692
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 11146396
[3,4-dibenzoyloxy-5-(ethenylideneamino)oxolan-2-yl]methyl benzoate
CID 59649569
acetonitrile;(3,5-dibenzoyloxy-4-fluorooxolan-2-yl)methyl benzoate
CID 91544992
[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl 4-methylbenzoate
CID 101019750

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate (CID 18666645) is [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate is [N-]=[N+]=NC1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1F.
What is the InChIKey of [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
The InChIKey is GNDBWIFFBHMUPT-LVYZTWJOSA-N. The full InChI is InChI=1S/C19H16FN3O5/c20-15-16(28-19(25)13-9-5-2-6-10-13)14(27-17(15)22-23-21)11-26-18(24)12-7-3-1-4-8-12/h1-10,14-17H,11H2/t14-,15+,16-,17?/m1/s1.
What are the key properties of [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate?
[(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate has a molecular weight of 385.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-5-azido-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 18666645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).