[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate

C26H55FO6Si3 — CID 134938070

IUPAC[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](F)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H55FO6Si3/c1-18(28)30-20-19(17-29-34(11,12)24(2,3)4)31-23(27)22(33-36(15,16)26(8,9)10)21(20)32-35(13,14)25(5,6)7/h19-23H,17H2,1-16H3/t19-,20-,21+,22-,23-/m1/s1
InChIKeyFTFSEHNYTBYUQH-XNBWIAOKSA-N
MW566.98 g/mol
LogP7.42
Rot. Bonds8

About [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate

[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate (PubChem CID 134938070) has the molecular formula C26H55FO6Si3 and a molecular weight of 566.98 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate
PubChem CID134938070
Molecular FormulaC26H55FO6Si3
Molecular Weight566.98 g/mol
Exact Mass566.33
IUPAC Name[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](F)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H55FO6Si3/c1-18(28)30-20-19(17-29-34(11,12)24(2,3)4)31-23(27)22(33-36(15,16)26(8,9)10)21(20)32-35(13,14)25(5,6)7/h19-23H,17H2,1-16H3/t19-,20-,21+,22-,23-/m1/s1
InChIKeyFTFSEHNYTBYUQH-XNBWIAOKSA-N
XLogP7.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.98
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate with MolForge

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Related Compounds

methyl 3-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methoxy]propanoate
CID 44438950
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]a-Glc1F4Ac
CID 134937551
[(3R,6R)-4,5-diacetyloxy-6-[[diethyl(methyl)silyl]oxymethyl]-2-methyloxan-3-yl] acetate
CID 134831855
TBDMS(-3)[TBDMS(-6)]Hex2F4Ac
CID 101336246
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]b-Gal1Me2Ac
CID 14408414
[(2R,3R,4R,5R)-3,4,5-triacetyloxy-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexan-2-yl] acetate
CID 46192138
[(2R,3S,4S,5R)-3,4,5,6-tetrakis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methyl acetate
CID 69903464
[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxyhexyl] acetate
CID 173564552
[(4R)-3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-4-yl] acetate
CID 174274806
[(3R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate
CID 10541392
[(3S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-yl] acetate
CID 10850924
[(2S)-1-[(2S,3R)-3-methyloxiran-2-yl]-3-tri(propan-2-yl)silyloxypropan-2-yl] acetate
CID 10871250

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate (CID 134938070) is [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](F)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate?
The InChIKey is FTFSEHNYTBYUQH-XNBWIAOKSA-N. The full InChI is InChI=1S/C26H55FO6Si3/c1-18(28)30-20-19(17-29-34(11,12)24(2,3)4)31-23(27)22(33-36(15,16)26(8,9)10)21(20)32-35(13,14)25(5,6)7/h19-23H,17H2,1-16H3/t19-,20-,21+,22-,23-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate?
[(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate has a molecular weight of 566.98 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluorooxan-3-yl] acetate is sourced from PubChem (CID 134938070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).