(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol

C22H29N3O4Si — CID 11487162

IUPAC(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol
SMILESCC(C)(C)[Si](O[C@H]1[C@H](O)[C@H](CO)O[C@@H]1CN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O4Si/c1-22(2,3)30(16-10-6-4-7-11-16,17-12-8-5-9-13-17)29-21-18(14-24-25-23)28-19(15-26)20(21)27/h4-13,18-21,26-27H,14-15H2,1-3H3/t18-,19+,20-,21-/m1/s1
InChIKeyXDRIQFRSWAYKOZ-PLACYPQZSA-N
MW427.58 g/mol
LogP2.36
Rot. Bonds7

About (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol

(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 11487162) has the molecular formula C22H29N3O4Si and a molecular weight of 427.58 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol
PubChem CID11487162
Molecular FormulaC22H29N3O4Si
Molecular Weight427.58 g/mol
Exact Mass427.19
IUPAC Name(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol
SMILESCC(C)(C)[Si](O[C@H]1[C@H](O)[C@H](CO)O[C@@H]1CN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O4Si/c1-22(2,3)30(16-10-6-4-7-11-16,17-12-8-5-9-13-17)29-21-18(14-24-25-23)28-19(15-26)20(21)27/h4-13,18-21,26-27H,14-15H2,1-3H3/t18-,19+,20-,21-/m1/s1
InChIKeyXDRIQFRSWAYKOZ-PLACYPQZSA-N
XLogP2.36
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol (CID 11487162) is (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol is CC(C)(C)[Si](O[C@H]1[C@H](O)[C@H](CO)O[C@@H]1CN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is XDRIQFRSWAYKOZ-PLACYPQZSA-N. The full InChI is InChI=1S/C22H29N3O4Si/c1-22(2,3)30(16-10-6-4-7-11-16,17-12-8-5-9-13-17)29-21-18(14-24-25-23)28-19(15-26)20(21)27/h4-13,18-21,26-27H,14-15H2,1-3H3/t18-,19+,20-,21-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol?
(2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 427.58 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-(azidomethyl)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 11487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).