[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane

C24H52BrN3O4Si3 — CID 10555726

IUPAC[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](Br)[C@H](N=[N+]=[N-])O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H52BrN3O4Si3/c1-12-34(13-2,14-3)31-21-19(18-29-33(10,11)24(7,8)9)30-23(27-28-26)20(25)22(21)32-35(15-4,16-5)17-6/h19-23H,12-18H2,1-11H3/t19-,20-,21+,22-,23-/m1/s1
InChIKeyARFWMLLFQABSCT-XNBWIAOKSA-N
MW610.86 g/mol
LogP8.59
Rot. Bonds14

About [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10555726) has the molecular formula C24H52BrN3O4Si3 and a molecular weight of 610.86 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10555726
Molecular FormulaC24H52BrN3O4Si3
Molecular Weight610.86 g/mol
Exact Mass609.24
IUPAC Name[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](Br)[C@H](N=[N+]=[N-])O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H52BrN3O4Si3/c1-12-34(13-2,14-3)31-21-19(18-29-33(10,11)24(7,8)9)30-23(27-28-26)20(25)22(21)32-35(15-4,16-5)17-6/h19-23H,12-18H2,1-11H3/t19-,20-,21+,22-,23-/m1/s1
InChIKeyARFWMLLFQABSCT-XNBWIAOKSA-N
XLogP8.59
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.86
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4R,5S,6S)-4-acetyloxy-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxyoxan-3-yl] acetate
CID 11675770
[(2S,3R,4S,5S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 57337579
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
CID 88871663
CID 88871663
[(2R,3R)-5-azido-3-methoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 174001100
[(1R,3R,4S,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 14408406
(2R,4S,5S,6R)-4-azido-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-3-one
CID 11360512
[(2S,3R,4S,5S)-4-azido-3-methoxy-5-(4-methylphenyl)sulfanyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 122371913
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133
[6-(3-azidopropyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 22498114
[(2R,3R,4R,5R)-5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 46211348
[5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 75149881

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10555726) is [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane is CC[Si](CC)(CC)O[C@@H]1[C@@H](Br)[C@H](N=[N+]=[N-])O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ARFWMLLFQABSCT-XNBWIAOKSA-N. The full InChI is InChI=1S/C24H52BrN3O4Si3/c1-12-34(13-2,14-3)31-21-19(18-29-33(10,11)24(7,8)9)30-23(27-28-26)20(25)22(21)32-35(15-4,16-5)17-6/h19-23H,12-18H2,1-11H3/t19-,20-,21+,22-,23-/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 610.86 g/mol, XLogP of 8.59, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6R)-6-azido-5-bromo-3,4-bis(triethylsilyloxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10555726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).