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

C30H53FO6Si2 — CID 172834433

IUPAC[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate
SMILESCC[Si](CC)(CC)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/C30H53FO6Si2/c1-11-38(12-2,13-3)37-27-26(20-34-39(21(4)5,22(6)7)23(8)9)36-30(31)29(35-24(10)32)28(27)33-19-25-17-15-14-16-18-25/h14-18,21-23,26-30H,11-13,19-20H2,1-10H3/t26-,27-,28+,29+,30+/m1/s1
InChIKeyVYPJRWAYGPHVSY-ZNOUKXQUSA-N
MW584.92 g/mol
LogP7.78
Rot. Bonds15

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

[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate (PubChem CID 172834433) has the molecular formula C30H53FO6Si2 and a molecular weight of 584.92 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate
PubChem CID172834433
Molecular FormulaC30H53FO6Si2
Molecular Weight584.92 g/mol
Exact Mass584.34
IUPAC Name[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate
SMILESCC[Si](CC)(CC)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/C30H53FO6Si2/c1-11-38(12-2,13-3)37-27-26(20-34-39(21(4)5,22(6)7)23(8)9)36-30(31)29(35-24(10)32)28(27)33-19-25-17-15-14-16-18-25/h14-18,21-23,26-30H,11-13,19-20H2,1-10H3/t26-,27-,28+,29+,30+/m1/s1
InChIKeyVYPJRWAYGPHVSY-ZNOUKXQUSA-N
XLogP7.78
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.92
LogP ≤ 57.78
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-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate with MolForge

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Launch Full Analysis

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
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside
CID 2728829
benzyl 2-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]acetate
CID 12192989
[(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
[(2S,3S,4S,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 44440778
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]oxyoxan-2-yl]methyl acetate
CID 163044451

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate (CID 172834433) is [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-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-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate is CC[Si](CC)(CC)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-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
The InChIKey is VYPJRWAYGPHVSY-ZNOUKXQUSA-N. The full InChI is InChI=1S/C30H53FO6Si2/c1-11-38(12-2,13-3)37-27-26(20-34-39(21(4)5,22(6)7)23(8)9)36-30(31)29(35-24(10)32)28(27)33-19-25-17-15-14-16-18-25/h14-18,21-23,26-30H,11-13,19-20H2,1-10H3/t26-,27-,28+,29+,30+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate?
[(2R,3S,4R,5R,6R)-2-fluoro-4-phenylmethoxy-5-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate has a molecular weight of 584.92 g/mol, XLogP of 7.78, 15 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-triethylsilyloxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-yl] acetate is sourced from PubChem (CID 172834433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).