[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

C38H43FO6Si — CID 134997443

IUPAC[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SMILESCC(=O)OC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(F)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C38H43FO6Si/c1-28(40)44-34-33(27-43-46(38(2,3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32)45-37(39)36(42-26-30-19-11-6-12-20-30)35(34)41-25-29-17-9-5-10-18-29/h5-24,33-37H,25-27H2,1-4H3
InChIKeyYUDRVYVBKIXMTH-UHFFFAOYSA-N
MW642.84 g/mol
LogP6.36
Rot. Bonds12

About [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate (PubChem CID 134997443) has the molecular formula C38H43FO6Si and a molecular weight of 642.84 g/mol. Its IUPAC name is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
PubChem CID134997443
Molecular FormulaC38H43FO6Si
Molecular Weight642.84 g/mol
Exact Mass642.28
IUPAC Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
SMILESCC(=O)OC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(F)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C38H43FO6Si/c1-28(40)44-34-33(27-43-46(38(2,3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32)45-37(39)36(42-26-30-19-11-6-12-20-30)35(34)41-25-29-17-9-5-10-18-29/h5-24,33-37H,25-27H2,1-4H3
InChIKeyYUDRVYVBKIXMTH-UHFFFAOYSA-N
XLogP6.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.84
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,4R,5R,6R)-5-acetyloxy-2-benzyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 23628271
[(2S,3S,4S,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 44440775
Methyl 2,3,4,6-tetrakis-O-(phenylmethyl)-alpha-D-glucopyranoside
CID 10840491
(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11092955
(2S,3S,4R,5R,6R)-2-benzyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11135847
[(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl acetate
CID 44414287
[(2R,3R,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 156015102
2,3,4,6-Tetra-O-benzyl-beta-D-glucopyranosyl Fluoride
CID 10886059
2,3,4,6-Tetra-O-benzyl-D-glucopyranosyl Fluoride
CID 10951670
2,3,4,6-Tetra-O-benzyl-alpha-D-glucopyranosyl Fluoride
CID 11092783
Methyl 2,3,4,6-tetra-o-benzyl-D-glucopyranoside
CID 11203703
[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 10481313

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate (CID 134997443) is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate.
What is the SMILES notation for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The canonical SMILES for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate is CC(=O)OC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(F)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
The InChIKey is YUDRVYVBKIXMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43FO6Si/c1-28(40)44-34-33(27-43-46(38(2,3)4,31-21-13-7-14-22-31)32-23-15-8-16-24-32)45-37(39)36(42-26-30-19-11-6-12-20-30)35(34)41-25-29-17-9-5-10-18-29/h5-24,33-37H,25-27H2,1-4H3.
What are the key properties of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate?
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate has a molecular weight of 642.84 g/mol, XLogP of 6.36, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-fluoro-4,5-bis(phenylmethoxy)oxan-3-yl] acetate is sourced from PubChem (CID 134997443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).