[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate

C36H65FO6Si2 — CID 164929047

IUPAC[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate
SMILESCCCC[Si](CCCC)(CCCC)O[C@H]1[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](F)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H65FO6Si2/c1-11-14-22-44(23-15-12-2,24-16-13-3)43-33-32(26-40-45(27(4)5,28(6)7)29(8)9)42-36(37)35(41-30(10)38)34(33)39-25-31-20-18-17-19-21-31/h17-21,27-29,32-36H,11-16,22-26H2,1-10H3/t32-,33-,34+,35+,36+/m1/s1
InChIKeyJRFXTXWTDSPDCW-DKQOGILZSA-N
MW669.08 g/mol
LogP10.12
Rot. Bonds21

About [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate

[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate (PubChem CID 164929047) has the molecular formula C36H65FO6Si2 and a molecular weight of 669.08 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate
PubChem CID164929047
Molecular FormulaC36H65FO6Si2
Molecular Weight669.08 g/mol
Exact Mass668.43
IUPAC Name[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate
SMILESCCCC[Si](CCCC)(CCCC)O[C@H]1[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](F)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H65FO6Si2/c1-11-14-22-44(23-15-12-2,24-16-13-3)43-33-32(26-40-45(27(4)5,28(6)7)29(8)9)42-36(37)35(41-30(10)38)34(33)39-25-31-20-18-17-19-21-31/h17-21,27-29,32-36H,11-16,22-26H2,1-10H3/t32-,33-,34+,35+,36+/m1/s1
InChIKeyJRFXTXWTDSPDCW-DKQOGILZSA-N
XLogP10.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.08
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate with MolForge

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Related Compounds

(3,4,5-Triacetyloxy-6-phenyloxan-2-yl)methyl acetate
CID 3453887
[(2S,3S,4S,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 44440775
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-yl] acetate
CID 10885778
benzyl 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetate
CID 12192989
[(2S,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl acetate
CID 44414049
[(2R,3S,4S,5R,6R)-2-ethenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 44414213
benzyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44420182
benzyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44420192
benzyl 2-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetate
CID 44438932
benzyl (E)-3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]prop-2-enoate
CID 44438941
(4-Acetyloxy-5-fluoro-2-methyl-6-phenylmethoxyoxan-3-yl) acetate
CID 21260917

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate (CID 164929047) is [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate is CCCC[Si](CCCC)(CCCC)O[C@H]1[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](F)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
The InChIKey is JRFXTXWTDSPDCW-DKQOGILZSA-N. The full InChI is InChI=1S/C36H65FO6Si2/c1-11-14-22-44(23-15-12-2,24-16-13-3)43-33-32(26-40-45(27(4)5,28(6)7)29(8)9)42-36(37)35(41-30(10)38)34(33)39-25-31-20-18-17-19-21-31/h17-21,27-29,32-36H,11-16,22-26H2,1-10H3/t32-,33-,34+,35+,36+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate has a molecular weight of 669.08 g/mol, XLogP of 10.12, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-tributylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate is sourced from PubChem (CID 164929047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).