[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

C13H27N3O3Si — CID 174001100

IUPAC[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1CC(N=[N+]=[N-])CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27N3O3Si/c1-13(2,3)20(5,6)19-9-12-11(17-4)7-10(8-18-12)15-16-14/h10-12H,7-9H2,1-6H3/t10?,11-,12-/m1/s1
InChIKeyDWHXYVMJWPYWQO-PQDIPPBSSA-N
MW301.46 g/mol
LogP3.49
Rot. Bonds5

About [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 174001100) has the molecular formula C13H27N3O3Si and a molecular weight of 301.46 g/mol. Its IUPAC name is [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID174001100
Molecular FormulaC13H27N3O3Si
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1CC(N=[N+]=[N-])CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27N3O3Si/c1-13(2,3)20(5,6)19-9-12-11(17-4)7-10(8-18-12)15-16-14/h10-12H,7-9H2,1-6H3/t10?,11-,12-/m1/s1
InChIKeyDWHXYVMJWPYWQO-PQDIPPBSSA-N
XLogP3.49
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
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

[(2R,3R,5R)-5-azido-3-methoxyoxan-2-yl]methanol
CID 123348073
[(2R,3R,5R)-5-azido-3-(deuteriomethoxy)oxan-2-yl]methanol
CID 141449391
(3S,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxyoxan-3-amine
CID 174151218
(2R,3S)-5-azido-2-(hydroxymethyl)oxan-3-ol
CID 167005677
[(1R,2S,6R)-2-azido-6-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 123169753
[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 122371913
[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10555726
[(2R,3S,4R,5S,6S)-4-acetyloxy-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxyoxan-3-yl] acetate
CID 11675770
methyl 2-[3-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
CID 15958332
[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane
CID 59223321
CID 90125491
CID 90125491
(3S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(iodomethyl)oxolan-3-ol
CID 10595438

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 174001100) is [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is CO[C@@H]1CC(N=[N+]=[N-])CO[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DWHXYVMJWPYWQO-PQDIPPBSSA-N. The full InChI is InChI=1S/C13H27N3O3Si/c1-13(2,3)20(5,6)19-9-12-11(17-4)7-10(8-18-12)15-16-14/h10-12H,7-9H2,1-6H3/t10?,11-,12-/m1/s1.
What are the key properties of [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 301.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174001100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).