(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol

C12H25FO5Si — CID 174043910

IUPAC(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1F
InChIInChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,14-16H,6H2,1-5H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyULSWTLYTZSQEHU-XSIKWTSOSA-N
MW296.41 g/mol
LogP0.79
Rot. Bonds3

About (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol

(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol (PubChem CID 174043910) has the molecular formula C12H25FO5Si and a molecular weight of 296.41 g/mol. Its IUPAC name is (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol
PubChem CID174043910
Molecular FormulaC12H25FO5Si
Molecular Weight296.41 g/mol
Exact Mass296.15
IUPAC Name(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1F
InChIInChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,14-16H,6H2,1-5H3/t7-,8-,9+,10+,11?/m1/s1
InChIKeyULSWTLYTZSQEHU-XSIKWTSOSA-N
XLogP0.79
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol?
The IUPAC name of (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol (CID 174043910) is (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol.
What is the SMILES notation for (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol?
The canonical SMILES for (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol is CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1F.
What is the InChIKey of (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol?
The InChIKey is ULSWTLYTZSQEHU-XSIKWTSOSA-N. The full InChI is InChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,14-16H,6H2,1-5H3/t7-,8-,9+,10+,11?/m1/s1.
What are the key properties of (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol?
(3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol has a molecular weight of 296.41 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxane-2,3,4-triol is sourced from PubChem (CID 174043910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).