(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one

C17H35FO5Si2 — CID 66883009

IUPAC(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1OC(=O)[C@H](F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C17H35FO5Si2/c1-16(2,3)24(7,8)22-13-11(18)14(20)21-15(12(13)19)23-25(9,10)17(4,5)6/h11-13,15,19H,1-10H3/t11-,12+,13+,15?/m1/s1
InChIKeyZRFUUYKVBCIHGA-MHDSIBQVSA-N
MW394.63 g/mol
LogP3.98
Rot. Bonds4

About (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one

(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one (PubChem CID 66883009) has the molecular formula C17H35FO5Si2 and a molecular weight of 394.63 g/mol. Its IUPAC name is (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one.

Molecular Properties

Compound Name(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one
PubChem CID66883009
Molecular FormulaC17H35FO5Si2
Molecular Weight394.63 g/mol
Exact Mass394.20
IUPAC Name(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one
SMILESCC(C)(C)[Si](C)(C)OC1OC(=O)[C@H](F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C17H35FO5Si2/c1-16(2,3)24(7,8)22-13-11(18)14(20)21-15(12(13)19)23-25(9,10)17(4,5)6/h11-13,15,19H,1-10H3/t11-,12+,13+,15?/m1/s1
InChIKeyZRFUUYKVBCIHGA-MHDSIBQVSA-N
XLogP3.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-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 (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one?
The IUPAC name of (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one (CID 66883009) is (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one.
What is the SMILES notation for (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one?
The canonical SMILES for (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one is CC(C)(C)[Si](C)(C)OC1OC(=O)[C@H](F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one?
The InChIKey is ZRFUUYKVBCIHGA-MHDSIBQVSA-N. The full InChI is InChI=1S/C17H35FO5Si2/c1-16(2,3)24(7,8)22-13-11(18)14(20)21-15(12(13)19)23-25(9,10)17(4,5)6/h11-13,15,19H,1-10H3/t11-,12+,13+,15?/m1/s1.
What are the key properties of (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one?
(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one has a molecular weight of 394.63 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one is sourced from PubChem (CID 66883009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).