[(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate

C19H36F3N3O7SSi2 — CID 11071825

IUPAC[(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](OS(=O)(=O)C(F)(F)F)[C@H]1OC(=O)[C@@H](N=[N+]=[N-])[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36F3N3O7SSi2/c1-17(2,3)34(7,8)29-11-12(31-33(27,28)19(20,21)22)14-15(13(24-25-23)16(26)30-14)32-35(9,10)18(4,5)6/h12-15H,11H2,1-10H3/t12-,13+,14-,15-/m1/s1
InChIKeyFFMOPDHUVDPWSQ-LXTVHRRPSA-N
MW563.74 g/mol
LogP5.24
Rot. Bonds9

About [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate

[(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate (PubChem CID 11071825) has the molecular formula C19H36F3N3O7SSi2 and a molecular weight of 563.74 g/mol. Its IUPAC name is [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate
PubChem CID11071825
Molecular FormulaC19H36F3N3O7SSi2
Molecular Weight563.74 g/mol
Exact Mass563.18
IUPAC Name[(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](OS(=O)(=O)C(F)(F)F)[C@H]1OC(=O)[C@@H](N=[N+]=[N-])[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36F3N3O7SSi2/c1-17(2,3)34(7,8)29-11-12(31-33(27,28)19(20,21)22)14-15(13(24-25-23)16(26)30-14)32-35(9,10)18(4,5)6/h12-15H,11H2,1-10H3/t12-,13+,14-,15-/m1/s1
InChIKeyFFMOPDHUVDPWSQ-LXTVHRRPSA-N
XLogP5.24
TPSA136.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate?
The IUPAC name of [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate (CID 11071825) is [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate.
What is the SMILES notation for [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate?
The canonical SMILES for [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate is CC(C)(C)[Si](C)(C)OC[C@@H](OS(=O)(=O)C(F)(F)F)[C@H]1OC(=O)[C@@H](N=[N+]=[N-])[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate?
The InChIKey is FFMOPDHUVDPWSQ-LXTVHRRPSA-N. The full InChI is InChI=1S/C19H36F3N3O7SSi2/c1-17(2,3)34(7,8)29-11-12(31-33(27,28)19(20,21)22)14-15(13(24-25-23)16(26)30-14)32-35(9,10)18(4,5)6/h12-15H,11H2,1-10H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate?
[(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate has a molecular weight of 563.74 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3R,4S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-oxooxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] trifluoromethanesulfonate is sourced from PubChem (CID 11071825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).