(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol

C13H27FO4Si — CID 15885007

IUPAC(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
SMILESCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1F
InChIInChI=1S/C13H27FO4Si/c1-8-10(15)11(9(14)12(16-5)17-8)18-19(6,7)13(2,3)4/h8-12,15H,1-7H3/t8-,9+,10+,11-,12+/m0/s1
InChIKeyVDASAZLZRGYSOZ-MTVMDMGHSA-N
MW294.44 g/mol
LogP2.47
Rot. Bonds3

About (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol

(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol (PubChem CID 15885007) has the molecular formula C13H27FO4Si and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
PubChem CID15885007
Molecular FormulaC13H27FO4Si
Molecular Weight294.44 g/mol
Exact Mass294.17
IUPAC Name(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
SMILESCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1F
InChIInChI=1S/C13H27FO4Si/c1-8-10(15)11(9(14)12(16-5)17-8)18-19(6,7)13(2,3)4/h8-12,15H,1-7H3/t8-,9+,10+,11-,12+/m0/s1
InChIKeyVDASAZLZRGYSOZ-MTVMDMGHSA-N
XLogP2.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol (CID 15885007) is (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol is CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1F.
What is the InChIKey of (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
The InChIKey is VDASAZLZRGYSOZ-MTVMDMGHSA-N. The full InChI is InChI=1S/C13H27FO4Si/c1-8-10(15)11(9(14)12(16-5)17-8)18-19(6,7)13(2,3)4/h8-12,15H,1-7H3/t8-,9+,10+,11-,12+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol?
(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol has a molecular weight of 294.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol is sourced from PubChem (CID 15885007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).