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

C12H25FO5Si — CID 174043884

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

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

(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol (PubChem CID 174043884) has the molecular formula C12H25FO5Si and a molecular weight of 296.41 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol
PubChem CID174043884
Molecular FormulaC12H25FO5Si
Molecular Weight296.41 g/mol
Exact Mass296.15
IUPAC Name(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](O)[C@@H](F)[C@@H]1O
InChIInChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-9(14)8(13)10(15)11(16)18-7/h7-11,14-16H,6H2,1-5H3/t7-,8+,9-,10+,11?/m1/s1
InChIKeyKFKMUVODAOGLEL-WEHBEXOLSA-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 (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol?
The IUPAC name of (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol (CID 174043884) is (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol.
What is the SMILES notation for (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol?
The canonical SMILES for (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol is CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](O)[C@@H](F)[C@@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol?
The InChIKey is KFKMUVODAOGLEL-WEHBEXOLSA-N. The full InChI is InChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-9(14)8(13)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 (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol?
(3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-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 (3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorooxane-2,3,5-triol is sourced from PubChem (CID 174043884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).