(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one

C17H34F2O6Si2 — CID 54307141

IUPAC(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(O)[C@H]1OC(=O)C(F)(F)[C@@]1(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34F2O6Si2/c1-14(2,3)26(7,8)24-12(20)11-17(22,16(18,19)13(21)23-11)25-27(9,10)15(4,5)6/h11-12,20,22H,1-10H3/t11-,12?,17+/m1/s1
InChIKeySIHVGLOMKDFOHE-AURTYUHDSA-N
MW428.62 g/mol
LogP3.60
Rot. Bonds5

About (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one

(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one (PubChem CID 54307141) has the molecular formula C17H34F2O6Si2 and a molecular weight of 428.62 g/mol. Its IUPAC name is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one
PubChem CID54307141
Molecular FormulaC17H34F2O6Si2
Molecular Weight428.62 g/mol
Exact Mass428.19
IUPAC Name(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC(O)[C@H]1OC(=O)C(F)(F)[C@@]1(O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34F2O6Si2/c1-14(2,3)26(7,8)24-12(20)11-17(22,16(18,19)13(21)23-11)25-27(9,10)15(4,5)6/h11-12,20,22H,1-10H3/t11-,12?,17+/m1/s1
InChIKeySIHVGLOMKDFOHE-AURTYUHDSA-N
XLogP3.60
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 13477303
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 10763314
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 11047574
3,5-Bis(t-butyldimethylsiloxy)-1-hydroxy-2-desoxy-2,2-difluororibose
CID 18647641
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 44240461
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 57857439
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 58946409
(3R,4R,5S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluoro-5-hydroxyoxan-2-one
CID 66883009
(3R,4R,5S)-3-fluoro-5-hydroxy-4,6-bis[tri(propan-2-yl)silyloxy]oxan-2-one
CID 66883077
(3R,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]peroxy]-2,2-difluoro-4-hydroxypentanoic acid
CID 88419719
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxyethyl]-4,4-difluorodioxolan-3-one
CID 88725732
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[2,2-dimethylpropyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 142756204

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one?
The IUPAC name of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one (CID 54307141) is (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one.
What is the SMILES notation for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one?
The canonical SMILES for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one is CC(C)(C)[Si](C)(C)OC(O)[C@H]1OC(=O)C(F)(F)[C@@]1(O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one?
The InChIKey is SIHVGLOMKDFOHE-AURTYUHDSA-N. The full InChI is InChI=1S/C17H34F2O6Si2/c1-14(2,3)26(7,8)24-12(20)11-17(22,16(18,19)13(21)23-11)25-27(9,10)15(4,5)6/h11-12,20,22H,1-10H3/t11-,12?,17+/m1/s1.
What are the key properties of (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one?
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one has a molecular weight of 428.62 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxy-hydroxymethyl]-3,3-difluoro-4-hydroxyoxolan-2-one is sourced from PubChem (CID 54307141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).