(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol

C15H35FO5Si3 — CID 25228157

IUPAC(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol
SMILESC[Si](C)(C)O[C@@H]1[C@@H]([C@H](CF)O[Si](C)(C)C)OC(O)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C15H35FO5Si3/c1-22(2,3)19-11(10-16)12-13(20-23(4,5)6)14(15(17)18-12)21-24(7,8)9/h11-15,17H,10H2,1-9H3/t11-,12+,13+,14-,15?/m0/s1
InChIKeyGPKZTEPRPMZMKA-LUNVINKVSA-N
MW398.70 g/mol
LogP3.33
Rot. Bonds8

About (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol

(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol (PubChem CID 25228157) has the molecular formula C15H35FO5Si3 and a molecular weight of 398.70 g/mol. Its IUPAC name is (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol.

Molecular Properties

Compound Name(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol
PubChem CID25228157
Molecular FormulaC15H35FO5Si3
Molecular Weight398.70 g/mol
Exact Mass398.18
IUPAC Name(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol
SMILESC[Si](C)(C)O[C@@H]1[C@@H]([C@H](CF)O[Si](C)(C)C)OC(O)[C@H]1O[Si](C)(C)C
InChIInChI=1S/C15H35FO5Si3/c1-22(2,3)19-11(10-16)12-13(20-23(4,5)6)14(15(17)18-12)21-24(7,8)9/h11-15,17H,10H2,1-9H3/t11-,12+,13+,14-,15?/m0/s1
InChIKeyGPKZTEPRPMZMKA-LUNVINKVSA-N
XLogP3.33
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
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)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol?
The IUPAC name of (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol (CID 25228157) is (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol.
What is the SMILES notation for (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol?
The canonical SMILES for (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol is C[Si](C)(C)O[C@@H]1[C@@H]([C@H](CF)O[Si](C)(C)C)OC(O)[C@H]1O[Si](C)(C)C.
What is the InChIKey of (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol?
The InChIKey is GPKZTEPRPMZMKA-LUNVINKVSA-N. The full InChI is InChI=1S/C15H35FO5Si3/c1-22(2,3)19-11(10-16)12-13(20-23(4,5)6)14(15(17)18-12)21-24(7,8)9/h11-15,17H,10H2,1-9H3/t11-,12+,13+,14-,15?/m0/s1.
What are the key properties of (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol?
(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol has a molecular weight of 398.70 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-ol is sourced from PubChem (CID 25228157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).