(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol

C20H25N3O3Si — CID 10738752

IUPAC(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol
SMILESCC(C)(C)[Si](OC1OC[C@@H](N=[N+]=[N-])[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O3Si/c1-20(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-19-18(24)17(14-25-19)22-23-21/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19?/m1/s1
InChIKeyIOOLWXYQNADRMG-YTYFACEESA-N
MW383.52 g/mol
LogP2.96
Rot. Bonds5

About (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol

(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol (PubChem CID 10738752) has the molecular formula C20H25N3O3Si and a molecular weight of 383.52 g/mol. Its IUPAC name is (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol
PubChem CID10738752
Molecular FormulaC20H25N3O3Si
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol
SMILESCC(C)(C)[Si](OC1OC[C@@H](N=[N+]=[N-])[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3O3Si/c1-20(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-19-18(24)17(14-25-19)22-23-21/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19?/m1/s1
InChIKeyIOOLWXYQNADRMG-YTYFACEESA-N
XLogP2.96
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.96
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
CID 139255092
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
(3S)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 15409688
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
3-[Tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 22244494
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-ol
CID 54179257
(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol
CID 57266863
(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
(2R,3S,5S)-4-azido-2-[tert-butyl(diphenyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 59624121
(2R)-4-[(2R)-2-azido-3-[tert-butyl(diphenyl)silyl]oxypropoxy]butan-2-ol
CID 70995081
(2R,3R)-2-azido-4-[tert-butyl(diphenyl)silyl]oxybutane-1,3-diol
CID 89610114

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol?
The IUPAC name of (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol (CID 10738752) is (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol?
The canonical SMILES for (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol is CC(C)(C)[Si](OC1OC[C@@H](N=[N+]=[N-])[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol?
The InChIKey is IOOLWXYQNADRMG-YTYFACEESA-N. The full InChI is InChI=1S/C20H25N3O3Si/c1-20(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)26-19-18(24)17(14-25-19)22-23-21/h4-13,17-19,24H,14H2,1-3H3/t17-,18+,19?/m1/s1.
What are the key properties of (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol?
(3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol has a molecular weight of 383.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-azido-2-[tert-butyl(diphenyl)silyl]oxyoxolan-3-ol is sourced from PubChem (CID 10738752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).