(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol

C14H27FO4Si — CID 71114063

IUPAC(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
SMILESCO[C@@H]1C[C@@]2(O)C[C@@H](F)[C@@H](O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C14H27FO4Si/c1-13(2,3)20(5,6)19-11-9(15)7-14(16)8-10(17-4)18-12(11)14/h9-12,16H,7-8H2,1-6H3/t9-,10+,11-,12?,14+/m1/s1
InChIKeyZDHXIBLOGMGSBU-RUMGFFEVSA-N
MW306.45 g/mol
LogP2.61
Rot. Bonds3

About (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol

(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol (PubChem CID 71114063) has the molecular formula C14H27FO4Si and a molecular weight of 306.45 g/mol. Its IUPAC name is (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol.

Molecular Properties

Compound Name(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
PubChem CID71114063
Molecular FormulaC14H27FO4Si
Molecular Weight306.45 g/mol
Exact Mass306.17
IUPAC Name(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
SMILESCO[C@@H]1C[C@@]2(O)C[C@@H](F)[C@@H](O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C14H27FO4Si/c1-13(2,3)20(5,6)19-11-9(15)7-14(16)8-10(17-4)18-12(11)14/h9-12,16H,7-8H2,1-6H3/t9-,10+,11-,12?,14+/m1/s1
InChIKeyZDHXIBLOGMGSBU-RUMGFFEVSA-N
XLogP2.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
The IUPAC name of (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol (CID 71114063) is (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol.
What is the SMILES notation for (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
The canonical SMILES for (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol is CO[C@@H]1C[C@@]2(O)C[C@@H](F)[C@@H](O[Si](C)(C)C(C)(C)C)C2O1.
What is the InChIKey of (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
The InChIKey is ZDHXIBLOGMGSBU-RUMGFFEVSA-N. The full InChI is InChI=1S/C14H27FO4Si/c1-13(2,3)20(5,6)19-11-9(15)7-14(16)8-10(17-4)18-12(11)14/h9-12,16H,7-8H2,1-6H3/t9-,10+,11-,12?,14+/m1/s1.
What are the key properties of (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol?
(2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol has a molecular weight of 306.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol is sourced from PubChem (CID 71114063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).