[(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol

C26H37FO5Si — CID 101128901

IUPAC[(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](F)O[C@@H]1CO
InChIInChI=1S/C26H37FO5Si/c1-26(2,3)33(4,5)32-22-21(16-28)31-25(27)24(30-18-20-14-10-7-11-15-20)23(22)29-17-19-12-8-6-9-13-19/h6-15,21-25,28H,16-18H2,1-5H3/t21-,22-,23+,24-,25-/m1/s1
InChIKeyPCXPIEHUQFWYBT-NHTNDUFYSA-N
MW476.66 g/mol
LogP5.23
Rot. Bonds9

About [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol

[(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 101128901) has the molecular formula C26H37FO5Si and a molecular weight of 476.66 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
PubChem CID101128901
Molecular FormulaC26H37FO5Si
Molecular Weight476.66 g/mol
Exact Mass476.24
IUPAC Name[(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](F)O[C@@H]1CO
InChIInChI=1S/C26H37FO5Si/c1-26(2,3)33(4,5)32-22-21(16-28)31-25(27)24(30-18-20-14-10-7-11-15-20)23(22)29-17-19-12-8-6-9-13-19/h6-15,21-25,28H,16-18H2,1-5H3/t21-,22-,23+,24-,25-/m1/s1
InChIKeyPCXPIEHUQFWYBT-NHTNDUFYSA-N
XLogP5.23
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-6-(hydroxymethyl)-4-phenylmethoxyoxan-3-yl] benzoate
CID 101128904
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
[(2R,3R,4S,5R)-5-(bromomethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 13009797
tert-butyl-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-dimethylsilane
CID 132937828
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol (CID 101128901) is [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](F)O[C@@H]1CO.
What is the InChIKey of [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is PCXPIEHUQFWYBT-NHTNDUFYSA-N. The full InChI is InChI=1S/C26H37FO5Si/c1-26(2,3)33(4,5)32-22-21(16-28)31-25(27)24(30-18-20-14-10-7-11-15-20)23(22)29-17-19-12-8-6-9-13-19/h6-15,21-25,28H,16-18H2,1-5H3/t21-,22-,23+,24-,25-/m1/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol?
[(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 476.66 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-4,5-bis(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 101128901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).