(2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

C12H26O6Si — CID 67147218

IUPAC(2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCCC[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C12H26O6Si/c1-4-5-6-19(2,3)18-11-10(15)9(14)8(7-13)17-12(11)16/h8-16H,4-7H2,1-3H3/t8-,9+,10+,11-,12+/m1/s1
InChIKeyGPICEHVJXOWTSQ-IIRVCBMXSA-N
MW294.42 g/mol
LogP-0.19
Rot. Bonds6

About (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol

(2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 67147218) has the molecular formula C12H26O6Si and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID67147218
Molecular FormulaC12H26O6Si
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESCCCC[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O
InChIInChI=1S/C12H26O6Si/c1-4-5-6-19(2,3)18-11-10(15)9(14)8(7-13)17-12(11)16/h8-16H,4-7H2,1-3H3/t8-,9+,10+,11-,12+/m1/s1
InChIKeyGPICEHVJXOWTSQ-IIRVCBMXSA-N
XLogP-0.19
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S,6S)-3-butoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 146216378
(3R,4R,5R)-3-butoxy-5-(hydroxymethyl)oxolane-2,4-diol
CID 70357171
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
ethane;(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 170573273
ethanol;(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 167433871
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-undecoxyoxane-2,3,5-triol
CID 13365350
bismuthane;(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 173193774
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-silyloxyoxane-2,4,5-triol
CID 173027659
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,3R,4S,5S)-3-(dimethylaminooxy)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 87949821

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol (CID 67147218) is (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is CCCC[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is GPICEHVJXOWTSQ-IIRVCBMXSA-N. The full InChI is InChI=1S/C12H26O6Si/c1-4-5-6-19(2,3)18-11-10(15)9(14)8(7-13)17-12(11)16/h8-16H,4-7H2,1-3H3/t8-,9+,10+,11-,12+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol?
(2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 294.42 g/mol, XLogP of -0.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-3-[butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 67147218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).