(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol

C17H37FO4Si2 — CID 66883690

IUPAC(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37FO4Si2/c1-16(2,3)23(7,8)20-11-12-14(13(18)15(19)21-12)22-24(9,10)17(4,5)6/h12-15,19H,11H2,1-10H3/t12-,13+,14-,15+/m1/s1
InChIKeyJEDPSQYTEFAKMB-BARDWOONSA-N
MW380.65 g/mol
LogP4.45
Rot. Bonds5

About (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol

(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol (PubChem CID 66883690) has the molecular formula C17H37FO4Si2 and a molecular weight of 380.65 g/mol. Its IUPAC name is (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
PubChem CID66883690
Molecular FormulaC17H37FO4Si2
Molecular Weight380.65 g/mol
Exact Mass380.22
IUPAC Name(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37FO4Si2/c1-16(2,3)23(7,8)20-11-12-14(13(18)15(19)21-12)22-24(9,10)17(4,5)6/h12-15,19H,11H2,1-10H3/t12-,13+,14-,15+/m1/s1
InChIKeyJEDPSQYTEFAKMB-BARDWOONSA-N
XLogP4.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.65
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol?
The IUPAC name of (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol (CID 66883690) is (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol.
What is the SMILES notation for (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol?
The canonical SMILES for (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol?
The InChIKey is JEDPSQYTEFAKMB-BARDWOONSA-N. The full InChI is InChI=1S/C17H37FO4Si2/c1-16(2,3)23(7,8)20-11-12-14(13(18)15(19)21-12)22-24(9,10)17(4,5)6/h12-15,19H,11H2,1-10H3/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol?
(2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol has a molecular weight of 380.65 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-ol is sourced from PubChem (CID 66883690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).