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

C15H33FO5Si3 — CID 25228161

IUPAC(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
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/C15H33FO5Si3/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/h11-14H,10H2,1-9H3/t11-,12+,13+,14-/m0/s1
InChIKeyRNKZGTLHWPBBHM-DGAVXFQQSA-N
MW396.68 g/mol
LogP3.54
Rot. Bonds8

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

(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one (PubChem CID 25228161) has the molecular formula C15H33FO5Si3 and a molecular weight of 396.68 g/mol. Its IUPAC name is (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
PubChem CID25228161
Molecular FormulaC15H33FO5Si3
Molecular Weight396.68 g/mol
Exact Mass396.16
IUPAC Name(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one
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/C15H33FO5Si3/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/h11-14H,10H2,1-9H3/t11-,12+,13+,14-/m0/s1
InChIKeyRNKZGTLHWPBBHM-DGAVXFQQSA-N
XLogP3.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,4,5-Tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on
CID 10994280
3,4,5-Tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 523407
methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(3R,4S,5R,6R)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-one
CID 11763588
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-one
CID 140966522
(3R,4R,5R,6R)-5-fluoro-3,4-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 147712641
Arabino-Hexonic acid, 2-deoxy-3,5,6-tris-O-(trimethylsilyl)-, gamma-lactone
CID 523331
D-Ribo-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, lactone
CID 523364
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Arabinonic acid, 1,4-lactone, TMS
CID 523387
Saccharic acid, TMS # 1
CID 523400

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The IUPAC name of (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one (CID 25228161) is (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
The canonical SMILES for (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one 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-one?
The InChIKey is RNKZGTLHWPBBHM-DGAVXFQQSA-N. The full InChI is InChI=1S/C15H33FO5Si3/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/h11-14H,10H2,1-9H3/t11-,12+,13+,14-/m0/s1.
What are the key properties of (3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one?
(3S,4R,5S)-5-[(1R)-2-fluoro-1-trimethylsilyloxyethyl]-3,4-bis(trimethylsilyloxy)oxolan-2-one has a molecular weight of 396.68 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 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-one is sourced from PubChem (CID 25228161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).