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

C21H27N3O4Si — CID 57266863

IUPAC(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](OC(O)[C@H]1O[C@H](O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O4Si/c1-21(2,3)29(15-10-6-4-7-11-15,16-12-8-5-9-13-16)28-20(26)19-17(23-24-22)14-18(25)27-19/h4-13,17-20,25-26H,14H2,1-3H3/t17-,18-,19-,20?/m0/s1
InChIKeyOUDXBAUYYVIUIT-TWQWKPIESA-N
MW413.55 g/mol
LogP2.67
Rot. Bonds6

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

(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol (PubChem CID 57266863) has the molecular formula C21H27N3O4Si and a molecular weight of 413.55 g/mol. Its IUPAC name is (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol.

Molecular Properties

Compound Name(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol
PubChem CID57266863
Molecular FormulaC21H27N3O4Si
Molecular Weight413.55 g/mol
Exact Mass413.18
IUPAC Name(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol
SMILESCC(C)(C)[Si](OC(O)[C@H]1O[C@H](O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27N3O4Si/c1-21(2,3)29(15-10-6-4-7-11-15,16-12-8-5-9-13-16)28-20(26)19-17(23-24-22)14-18(25)27-19/h4-13,17-20,25-26H,14H2,1-3H3/t17-,18-,19-,20?/m0/s1
InChIKeyOUDXBAUYYVIUIT-TWQWKPIESA-N
XLogP2.67
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 52.67
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': 'het-C-het_not_in_ring', '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
(2S,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10387948
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol
CID 11784059
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol
CID 14061549
[(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
(3R,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 53723972
(3S,4R,5S)-2-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 53723973
(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 (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol?
The IUPAC name of (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol (CID 57266863) is (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol.
What is the SMILES notation for (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol?
The canonical SMILES for (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol is CC(C)(C)[Si](OC(O)[C@H]1O[C@H](O)C[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol?
The InChIKey is OUDXBAUYYVIUIT-TWQWKPIESA-N. The full InChI is InChI=1S/C21H27N3O4Si/c1-21(2,3)29(15-10-6-4-7-11-15,16-12-8-5-9-13-16)28-20(26)19-17(23-24-22)14-18(25)27-19/h4-13,17-20,25-26H,14H2,1-3H3/t17-,18-,19-,20?/m0/s1.
What are the key properties of (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol?
(2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol has a molecular weight of 413.55 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-4-azido-5-[[tert-butyl(diphenyl)silyl]oxy-hydroxymethyl]oxolan-2-ol is sourced from PubChem (CID 57266863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).