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

C12H25FO5Si — CID 174043886

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

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

(3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol (PubChem CID 174043886) has the molecular formula C12H25FO5Si and a molecular weight of 296.41 g/mol. Its IUPAC name is (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol.

Molecular Properties

Compound Name(3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol
PubChem CID174043886
Molecular FormulaC12H25FO5Si
Molecular Weight296.41 g/mol
Exact Mass296.15
IUPAC Name(3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](F)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-9(14)10(15)8(13)11(16)18-7/h7-11,14-16H,6H2,1-5H3/t7-,8+,9-,10-,11?/m1/s1
InChIKeyIDZBVIZQNMQUTG-SJWJCTCFSA-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'}

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

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Related Compounds

2-(Trimethylsilyl)ethyl beta-galactopyranoside
CID 3082836
(2R,3R,4S,5R,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol
CID 10968858
(2R,3R,4R,5S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 134878312
methyl 6-O-[tert-butyl(dimethyl)silyl]-alpha-D-glucopyranoside
CID 14565209
Methyl-6-(tert-butyldimethylsilyloxy)-alpha-D-mannopyranoside
CID 22831855
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 134949639
5-[Tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol
CID 15477035
(2S,3R,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
CID 15885007
(5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol
CID 18656942
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(trifluoromethyl)oxan-2-ol
CID 18656943
4-[Tert-butyl(dimethyl)silyl]oxy-5-fluoro-6-methoxy-2-methyloxan-3-ol
CID 18781504
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(1,1,2,2,2-pentafluoroethyl)oxan-2-ol
CID 22869058

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol?
The IUPAC name of (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol (CID 174043886) is (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol.
What is the SMILES notation for (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol?
The canonical SMILES for (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol is CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@@H](F)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol?
The InChIKey is IDZBVIZQNMQUTG-SJWJCTCFSA-N. The full InChI is InChI=1S/C12H25FO5Si/c1-12(2,3)19(4,5)17-6-7-9(14)10(15)8(13)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,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol?
(3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-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 (3S,4S,5S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxane-2,4,5-triol is sourced from PubChem (CID 174043886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).