[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane

C33H43BrO5Si — CID 173333738

IUPAC[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane
SMILESC[SiH](C)[C@]1(Br)O[C@H](COC(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C33H43BrO5Si/c1-32(2,3)38-24-28-29(35-21-25-15-9-6-10-16-25)30(36-22-26-17-11-7-12-18-26)31(33(34,39-28)40(4)5)37-23-27-19-13-8-14-20-27/h6-20,28-31,40H,21-24H2,1-5H3/t28-,29-,30+,31-,33-/m1/s1
InChIKeyALKDXGUIVQEVQX-FCLIIASSSA-N
MW627.69 g/mol
LogP7.07
Rot. Bonds12

About [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane

[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane (PubChem CID 173333738) has the molecular formula C33H43BrO5Si and a molecular weight of 627.69 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane
PubChem CID173333738
Molecular FormulaC33H43BrO5Si
Molecular Weight627.69 g/mol
Exact Mass626.21
IUPAC Name[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane
SMILESC[SiH](C)[C@]1(Br)O[C@H](COC(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C33H43BrO5Si/c1-32(2,3)38-24-28-29(35-21-25-15-9-6-10-16-25)30(36-22-26-17-11-7-12-18-26)31(33(34,39-28)40(4)5)37-23-27-19-13-8-14-20-27/h6-20,28-31,40H,21-24H2,1-5H3/t28-,29-,30+,31-,33-/m1/s1
InChIKeyALKDXGUIVQEVQX-FCLIIASSSA-N
XLogP7.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.69
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4S,5R,6S)-6-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl hypochlorite
CID 70396461
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane
CID 173090939
tert-butyl (2R,3R,4S,5S,6R,7R)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,8-dioxaspiro[2.5]octane-2-carboxylate
CID 101168393
tert-butyl 4-[(2S,3S,4S,5R,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzoate
CID 122218947
(1S,2S,3R,4R,6S,9S,10S,11S,12R,13R)-1,2,3,10,11,12-hexakis(phenylmethoxy)-4,13-bis(phenylmethoxymethyl)-5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 101140893
dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane
CID 170851237
(3R,5R,6R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 143282407
(3R,5R)-2-[3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-methylphenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 163980748
[(2S,3R,4S,5R,6R)-2-ethoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 15756018
(2S,3R,4S,5S,6R)-2-ethenyl-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122227332

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane?
The IUPAC name of [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane (CID 173333738) is [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane?
The canonical SMILES for [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane is C[SiH](C)[C@]1(Br)O[C@H](COC(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane?
The InChIKey is ALKDXGUIVQEVQX-FCLIIASSSA-N. The full InChI is InChI=1S/C33H43BrO5Si/c1-32(2,3)38-24-28-29(35-21-25-15-9-6-10-16-25)30(36-22-26-17-11-7-12-18-26)31(33(34,39-28)40(4)5)37-23-27-19-13-8-14-20-27/h6-20,28-31,40H,21-24H2,1-5H3/t28-,29-,30+,31-,33-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane?
[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane has a molecular weight of 627.69 g/mol, XLogP of 7.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane is sourced from PubChem (CID 173333738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).