(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol

C16H28O4Si2 — CID 101196528

IUPAC(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol
SMILESC[Si](C)(C)C#C[C@H]1[C@H](O)[C@H](O)[C@H](C#C[Si](C)(C)C)O[C@@H]1CO
InChIInChI=1S/C16H28O4Si2/c1-21(2,3)9-7-12-14(11-17)20-13(16(19)15(12)18)8-10-22(4,5)6/h12-19H,11H2,1-6H3/t12-,13+,14-,15+,16-/m1/s1
InChIKeyMVBFCFSNUQAHCH-DGADGQDISA-N
MW340.57 g/mol
LogP0.85
Rot. Bonds1

About (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol

(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol (PubChem CID 101196528) has the molecular formula C16H28O4Si2 and a molecular weight of 340.57 g/mol. Its IUPAC name is (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol
PubChem CID101196528
Molecular FormulaC16H28O4Si2
Molecular Weight340.57 g/mol
Exact Mass340.15
IUPAC Name(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol
SMILESC[Si](C)(C)C#C[C@H]1[C@H](O)[C@H](O)[C@H](C#C[Si](C)(C)C)O[C@@H]1CO
InChIInChI=1S/C16H28O4Si2/c1-21(2,3)9-7-12-14(11-17)20-13(16(19)15(12)18)8-10-22(4,5)6/h12-19H,11H2,1-6H3/t12-,13+,14-,15+,16-/m1/s1
InChIKeyMVBFCFSNUQAHCH-DGADGQDISA-N
XLogP0.85
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.57
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5R,6S)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 11144353
(2S,3R,4S,5S,6S)-2-(2-bromoethynyl)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-4-ol
CID 100960244
(2R,3S,5S,6S)-2,5-dimethyl-6-(4-trimethylsilylbut-3-ynyl)oxan-3-ol
CID 101143683
[(2S,3R,4S,5R,6R)-3,6-diethynyl-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
CID 102303639
(2R,3R,4R,5S,6R)-3-ethynyl-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134885279
(2S,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-iodoethynyl)-5-tri(propan-2-yl)silyloxy-3-[2-tri(propan-2-yl)silyloxyethynyl]oxan-4-ol
CID 134885280
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5S,6S)-2,2,5-trimethyl-6-(2-trimethylsilylethynyl)-1,3-dioxan-4-yl]ethanol
CID 134938289
[(2S,3R,4S,5R,6R)-3-ethynyl-6-[4-[(2R,3R,4S,5R,6S)-5-ethynyl-6-(hydroxymethyl)-3,4-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]buta-1,3-diynyl]-4,5-bis[tri(propan-2-yl)silyloxy]oxan-2-yl]methanol
CID 134976415
(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxy-5-[2-tri(propan-2-yl)silyloxyethynyl]oxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134976733
(2R,3R,4R,5S,6R)-3-[4-[(2S,3R,4S,5S,6S)-5-[2-[dimethyl-[2-methyl-4-tri(propan-2-yl)silyloxybutan-2-yl]silyl]ethynyl]-4-hydroxy-6-(hydroxymethyl)-3-tri(propan-2-yl)silyloxyoxan-2-yl]buta-1,3-diynyl]-2-(hydroxymethyl)-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-4-ol
CID 134976734
2-(Hydroxymethyl)-3,5-bis(triethylsilyloxy)-6-(2-trimethylsilylethynyl)oxan-4-ol
CID 135013738
10-[[Tert-butyl(dimethyl)silyl]oxymethyl]-3,11-dioxabicyclo[7.2.2]tridecane-12,13-diol
CID 58602333

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol (CID 101196528) is (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol is C[Si](C)(C)C#C[C@H]1[C@H](O)[C@H](O)[C@H](C#C[Si](C)(C)C)O[C@@H]1CO.
What is the InChIKey of (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol?
The InChIKey is MVBFCFSNUQAHCH-DGADGQDISA-N. The full InChI is InChI=1S/C16H28O4Si2/c1-21(2,3)9-7-12-14(11-17)20-13(16(19)15(12)18)8-10-22(4,5)6/h12-19H,11H2,1-6H3/t12-,13+,14-,15+,16-/m1/s1.
What are the key properties of (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol?
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol has a molecular weight of 340.57 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6S)-6-(hydroxymethyl)-2,5-bis(2-trimethylsilylethynyl)oxane-3,4-diol is sourced from PubChem (CID 101196528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).