[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate

C19H40O8Si3 — CID 102046288

IUPAC[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(OC(C)=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C19H40O8Si3/c1-13(20)22-12-15-16(25-28(3,4)5)17(26-29(6,7)8)18(27-30(9,10)11)19(24-15)23-14(2)21/h15-19H,12H2,1-11H3/t15-,16+,17+,18-,19?/m1/s1
InChIKeyDFLPDXRXNBIFSA-YVTHPHIOSA-N
MW480.78 g/mol
LogP3.50
Rot. Bonds9

About [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate

[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate (PubChem CID 102046288) has the molecular formula C19H40O8Si3 and a molecular weight of 480.78 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate
PubChem CID102046288
Molecular FormulaC19H40O8Si3
Molecular Weight480.78 g/mol
Exact Mass480.20
IUPAC Name[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(OC(C)=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C19H40O8Si3/c1-13(20)22-12-15-16(25-28(3,4)5)17(26-29(6,7)8)18(27-30(9,10)11)19(24-15)23-14(2)21/h15-19H,12H2,1-11H3/t15-,16+,17+,18-,19?/m1/s1
InChIKeyDFLPDXRXNBIFSA-YVTHPHIOSA-N
XLogP3.50
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.78
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-acetyloxy-6-methoxy-4,5-bis(trimethylsilyloxy)oxan-2-yl]methyl acetate
CID 609191
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 53487899
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
[(3R,6R)-6-acetyloxy-3,4,5-trimethoxyoxan-2-yl]methyl acetate
CID 6427397
[(2R,3S,4R)-3,5-diacetyloxy-4-hydroxyoxolan-2-yl]methyl acetate
CID 141190412
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 101147891
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 170902589

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate (CID 102046288) is [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C.
What is the InChIKey of [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate?
The InChIKey is DFLPDXRXNBIFSA-YVTHPHIOSA-N. The full InChI is InChI=1S/C19H40O8Si3/c1-13(20)22-12-15-16(25-28(3,4)5)17(26-29(6,7)8)18(27-30(9,10)11)19(24-15)23-14(2)21/h15-19H,12H2,1-11H3/t15-,16+,17+,18-,19?/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate?
[(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate has a molecular weight of 480.78 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-6-acetyloxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 102046288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).