(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol

C21H27N3O3Si — CID 10363440

IUPAC(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1OC(O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-20,25H,14-15H2,1-3H3/t18-,19+,20?/m0/s1
InChIKeyITMARJXVQJASMZ-ABZYKWASSA-N
MW397.55 g/mol
LogP3.35
Rot. Bonds6

About (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol

(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol (PubChem CID 10363440) has the molecular formula C21H27N3O3Si and a molecular weight of 397.55 g/mol. Its IUPAC name is (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol.

Molecular Properties

Compound Name(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol
PubChem CID10363440
Molecular FormulaC21H27N3O3Si
Molecular Weight397.55 g/mol
Exact Mass397.18
IUPAC Name(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](OC[C@H]1OC(O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-20,25H,14-15H2,1-3H3/t18-,19+,20?/m0/s1
InChIKeyITMARJXVQJASMZ-ABZYKWASSA-N
XLogP3.35
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 53.35
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
[(2R,3S,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
(5S)-5-({[tert-butyl(diphenyl)silyl]oxy}methyl)tetrahydro-2-furanol
CID 11473774
(5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol
CID 168993067
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol
CID 11451145
[(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
(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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol?
The IUPAC name of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol (CID 10363440) is (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol.
What is the SMILES notation for (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol?
The canonical SMILES for (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol is CC(C)(C)[Si](OC[C@H]1OC(O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol?
The InChIKey is ITMARJXVQJASMZ-ABZYKWASSA-N. The full InChI is InChI=1S/C21H27N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-20,25H,14-15H2,1-3H3/t18-,19+,20?/m0/s1.
What are the key properties of (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol?
(4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol has a molecular weight of 397.55 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-ol is sourced from PubChem (CID 10363440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).