[(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate

C23H31N3O5SSi — CID 86750352

IUPAC[(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CN=[N+]=[N-])C[C@H]1OS(C)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3O5SSi/c1-23(2,3)33(19-11-7-5-8-12-19,20-13-9-6-10-14-20)29-17-22-21(31-32(4,27)28)15-18(30-22)16-25-26-24/h5-14,18,21-22H,15-17H2,1-4H3/t18-,21+,22+/m0/s1
InChIKeyBSCMOEYOTWEAEX-VLCRHTCISA-N
MW489.67 g/mol
LogP3.38
Rot. Bonds9

About [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate

[(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate (PubChem CID 86750352) has the molecular formula C23H31N3O5SSi and a molecular weight of 489.67 g/mol. Its IUPAC name is [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate
PubChem CID86750352
Molecular FormulaC23H31N3O5SSi
Molecular Weight489.67 g/mol
Exact Mass489.18
IUPAC Name[(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CN=[N+]=[N-])C[C@H]1OS(C)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3O5SSi/c1-23(2,3)33(19-11-7-5-8-12-19,20-13-9-6-10-14-20)29-17-22-21(31-32(4,27)28)15-18(30-22)16-25-26-24/h5-14,18,21-22H,15-17H2,1-4H3/t18-,21+,22+/m0/s1
InChIKeyBSCMOEYOTWEAEX-VLCRHTCISA-N
XLogP3.38
TPSA110.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.67
LogP ≤ 53.38
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate
CID 10674955
2,5-Anhydro-6-azido-4,6-dideoxy-1-O-[(1,1-dimethylethyl)diphenylsilyl]-D-arabino-hexitol
CID 86750351
(2R,3S,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-3-thiol
CID 153738161
(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol
CID 11487162
[(2R,3R)-5-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypentan-2-yl] methanesulfonate
CID 11801590
[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane
CID 16745164
[(2S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl] methanesulfonate
CID 101407937

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate?
The IUPAC name of [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate (CID 86750352) is [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate?
The canonical SMILES for [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate is CC(C)(C)[Si](OC[C@H]1O[C@H](CN=[N+]=[N-])C[C@H]1OS(C)(=O)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate?
The InChIKey is BSCMOEYOTWEAEX-VLCRHTCISA-N. The full InChI is InChI=1S/C23H31N3O5SSi/c1-23(2,3)33(19-11-7-5-8-12-19,20-13-9-6-10-14-20)29-17-22-21(31-32(4,27)28)15-18(30-22)16-25-26-24/h5-14,18,21-22H,15-17H2,1-4H3/t18-,21+,22+/m0/s1.
What are the key properties of [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate?
[(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate has a molecular weight of 489.67 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-5-(azidomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate is sourced from PubChem (CID 86750352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).