(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one

C24H51FO5Si3 — CID 25228159

IUPAC(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](CF)O[Si](C)(C)C(C)(C)C)OC(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51FO5Si3/c1-22(2,3)31(10,11)28-17(16-25)18-19(29-32(12,13)23(4,5)6)20(21(26)27-18)30-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3/t17-,18+,19+,20-/m0/s1
InChIKeyVXIGQXBQEITBNX-NMLBUPMWSA-N
MW522.92 g/mol
LogP7.05
Rot. Bonds8

About (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one

(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one (PubChem CID 25228159) has the molecular formula C24H51FO5Si3 and a molecular weight of 522.92 g/mol. Its IUPAC name is (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one
PubChem CID25228159
Molecular FormulaC24H51FO5Si3
Molecular Weight522.92 g/mol
Exact Mass522.30
IUPAC Name(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](CF)O[Si](C)(C)C(C)(C)C)OC(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51FO5Si3/c1-22(2,3)31(10,11)28-17(16-25)18-19(29-32(12,13)23(4,5)6)20(21(26)27-18)30-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3/t17-,18+,19+,20-/m0/s1
InChIKeyVXIGQXBQEITBNX-NMLBUPMWSA-N
XLogP7.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.92
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one?
The IUPAC name of (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one (CID 25228159) is (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one?
The canonical SMILES for (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](CF)O[Si](C)(C)C(C)(C)C)OC(=O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one?
The InChIKey is VXIGQXBQEITBNX-NMLBUPMWSA-N. The full InChI is InChI=1S/C24H51FO5Si3/c1-22(2,3)31(10,11)28-17(16-25)18-19(29-32(12,13)23(4,5)6)20(21(26)27-18)30-33(14,15)24(7,8)9/h17-20H,16H2,1-15H3/t17-,18+,19+,20-/m0/s1.
What are the key properties of (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one?
(3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one has a molecular weight of 522.92 g/mol, XLogP of 7.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-fluoroethyl]oxolan-2-one is sourced from PubChem (CID 25228159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).