(1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol

C22H27N3O4Si — CID 131739958

IUPAC(1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)O[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])[C@@]2([SiH](c3ccccc3)c3ccccc3)OC[C@H]1O2
InChIInChI=1S/C22H27N3O4Si/c1-21(2,3)29-19-17-14-27-22(28-17,20(18(19)26)24-25-23)30(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-20,26,30H,14H2,1-3H3/t17-,18+,19-,20-,22-/m1/s1
InChIKeySUBVCWAWRCEYRJ-AIYVTKCESA-N
MW425.56 g/mol
LogP1.92
Rot. Bonds5

About (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol

(1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol (PubChem CID 131739958) has the molecular formula C22H27N3O4Si and a molecular weight of 425.56 g/mol. Its IUPAC name is (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name(1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol
PubChem CID131739958
Molecular FormulaC22H27N3O4Si
Molecular Weight425.56 g/mol
Exact Mass425.18
IUPAC Name(1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)O[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])[C@@]2([SiH](c3ccccc3)c3ccccc3)OC[C@H]1O2
InChIInChI=1S/C22H27N3O4Si/c1-21(2,3)29-19-17-14-27-22(28-17,20(18(19)26)24-25-23)30(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-20,26,30H,14H2,1-3H3/t17-,18+,19-,20-,22-/m1/s1
InChIKeySUBVCWAWRCEYRJ-AIYVTKCESA-N
XLogP1.92
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 51.92
H-Bond Donors ≤ 51
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'}

Analyze (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
(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
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
[(2R,3S,5S)-4-azido-2-[tert-butyl(diphenyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-yl] acetate
CID 59624115
(2R,3S,5S)-4-azido-2-[tert-butyl(diphenyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 59624121
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
CID 59765608
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxyoxan-4-ol
CID 60047861
[(3S,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 71072338
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
CID 71072339
(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 89404958

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol (CID 131739958) is (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol is CC(C)(C)O[C@H]1[C@H](O)[C@@H](N=[N+]=[N-])[C@@]2([SiH](c3ccccc3)c3ccccc3)OC[C@H]1O2.
What is the InChIKey of (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol?
The InChIKey is SUBVCWAWRCEYRJ-AIYVTKCESA-N. The full InChI is InChI=1S/C22H27N3O4Si/c1-21(2,3)29-19-17-14-27-22(28-17,20(18(19)26)24-25-23)30(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-20,26,30H,14H2,1-3H3/t17-,18+,19-,20-,22-/m1/s1.
What are the key properties of (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol?
(1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol has a molecular weight of 425.56 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R,5R)-4-azido-5-diphenylsilyl-2-[(2-methylpropan-2-yl)oxy]-6,8-dioxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 131739958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).