1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one

C21H48O6Si4 — CID 57337212

IUPAC1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C21H48O6Si4/c1-16(22)14-17-19(25-29(5,6)7)21(27-31(11,12)13)20(26-30(8,9)10)18(24-17)15-23-28(2,3)4/h17-21H,14-15H2,1-13H3/t17-,18+,19-,20-,21+/m0/s1
InChIKeyMVDRVEARLAUIKL-HGJUEJDCSA-N
MW508.95 g/mol
LogP5.24
Rot. Bonds11

About 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one

1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one (PubChem CID 57337212) has the molecular formula C21H48O6Si4 and a molecular weight of 508.95 g/mol. Its IUPAC name is 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one
PubChem CID57337212
Molecular FormulaC21H48O6Si4
Molecular Weight508.95 g/mol
Exact Mass508.25
IUPAC Name1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C21H48O6Si4/c1-16(22)14-17-19(25-29(5,6)7)21(27-31(11,12)13)20(26-30(8,9)10)18(24-17)15-23-28(2,3)4/h17-21H,14-15H2,1-13H3/t17-,18+,19-,20-,21+/m0/s1
InChIKeyMVDRVEARLAUIKL-HGJUEJDCSA-N
XLogP5.24
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.95
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-2,3-dione
CID 10864188
1-[(2S,3S,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 10940275
1-[(2S,3S,4R,5S,6S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]butane-2,3-dione
CID 23631140
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
2-[(2R,3R,4R,4aS,8aS)-3,4-bis(trimethylsilyloxy)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]acetaldehyde
CID 134922982
D-Altro-2-Heptulose, 1,3,4,5,6,7-hexakis-O-(trimethylsilyl)-
CID 609209
2-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 10863468
(3S,4R,5R,6R)-1,3,4,5,6,7-hexakis(trimethylsilyloxy)heptan-2-one
CID 101282284
1-[3,4-Bis(trimethylsilyloxy)-5-[[3-(3-trimethylsilyloxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 14704863
(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one
CID 58242501
1-[(2S,3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[[3-(3-trimethylsilyloxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 88402705
(3S,4S,5S,6R)-3,4,5,7-tetrabutoxy-6-triethylsilyloxyheptanal
CID 89338434

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one?
The IUPAC name of 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one (CID 57337212) is 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one is CC(=O)C[C@@H]1O[C@H](CO[Si](C)(C)C)[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 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one?
The InChIKey is MVDRVEARLAUIKL-HGJUEJDCSA-N. The full InChI is InChI=1S/C21H48O6Si4/c1-16(22)14-17-19(25-29(5,6)7)21(27-31(11,12)13)20(26-30(8,9)10)18(24-17)15-23-28(2,3)4/h17-21H,14-15H2,1-13H3/t17-,18+,19-,20-,21+/m0/s1.
What are the key properties of 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one?
1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one has a molecular weight of 508.95 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4R,5S,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]propan-2-one is sourced from PubChem (CID 57337212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).