[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate

C18H30O10Si — CID 134878488

IUPAC[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C18H30O10Si/c1-10(19)24-14-15(25-11(2)20)17(23-8-9-29(5,6)7)28-18(27-13(4)22)16(14)26-12(3)21/h14-18H,8-9H2,1-7H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyBZUDWSZISDHEKX-SFFUCWETSA-N
MW434.51 g/mol
LogP1.38
Rot. Bonds8

About [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate

[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate (PubChem CID 134878488) has the molecular formula C18H30O10Si and a molecular weight of 434.51 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate
PubChem CID134878488
Molecular FormulaC18H30O10Si
Molecular Weight434.51 g/mol
Exact Mass434.16
IUPAC Name[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate
SMILESCC(=O)O[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C18H30O10Si/c1-10(19)24-14-15(25-11(2)20)17(23-8-9-29(5,6)7)28-18(27-13(4)22)16(14)26-12(3)21/h14-18H,8-9H2,1-7H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyBZUDWSZISDHEKX-SFFUCWETSA-N
XLogP1.38
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate
CID 14887630
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
CID 10894766
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-trimethylsilylbutoxy)oxan-2-yl]methyl acetate
CID 10552566
[(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-(2-chloroethoxy)-2-methyloxan-3-yl] acetate
CID 102133393
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(5S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 126692010
[(2S,4S,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 44629963
[(2S,3S,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70923261
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70005151
[(2S,3S,4S,5R,6S)-4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
CID 11384338

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate (CID 134878488) is [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate is CC(=O)O[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate?
The InChIKey is BZUDWSZISDHEKX-SFFUCWETSA-N. The full InChI is InChI=1S/C18H30O10Si/c1-10(19)24-14-15(25-11(2)20)17(23-8-9-29(5,6)7)28-18(27-13(4)22)16(14)26-12(3)21/h14-18H,8-9H2,1-7H3/t14-,15-,16+,17-,18+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate?
[(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate has a molecular weight of 434.51 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-2,3,5-triacetyloxy-6-(2-trimethylsilylethoxy)oxan-4-yl] acetate is sourced from PubChem (CID 134878488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).