(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol

C24H53FO5Si3 — CID 140966524

IUPAC(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C24H53FO5Si3/c1-22(2,3)31(10,11)27-16-17-18(25)19(29-32(12,13)23(4,5)6)20(21(26)28-17)30-33(14,15)24(7,8)9/h17-21,26H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
InChIKeyYWUXZYJCAMKKIB-AWGDKMGJSA-N
MW524.94 g/mol
LogP6.84
Rot. Bonds7

About (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol

(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol (PubChem CID 140966524) has the molecular formula C24H53FO5Si3 and a molecular weight of 524.94 g/mol. Its IUPAC name is (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol.

Molecular Properties

Compound Name(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol
PubChem CID140966524
Molecular FormulaC24H53FO5Si3
Molecular Weight524.94 g/mol
Exact Mass524.32
IUPAC Name(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F
InChIInChI=1S/C24H53FO5Si3/c1-22(2,3)31(10,11)27-16-17-18(25)19(29-32(12,13)23(4,5)6)20(21(26)28-17)30-33(14,15)24(7,8)9/h17-21,26H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
InChIKeyYWUXZYJCAMKKIB-AWGDKMGJSA-N
XLogP6.84
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.94
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol?
The IUPAC name of (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol (CID 140966524) is (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol.
What is the SMILES notation for (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol?
The canonical SMILES for (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol is CC(C)(C)[Si](C)(C)OC[C@H]1OC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1F.
What is the InChIKey of (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol?
The InChIKey is YWUXZYJCAMKKIB-AWGDKMGJSA-N. The full InChI is InChI=1S/C24H53FO5Si3/c1-22(2,3)31(10,11)27-16-17-18(25)19(29-32(12,13)23(4,5)6)20(21(26)28-17)30-33(14,15)24(7,8)9/h17-21,26H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1.
What are the key properties of (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol?
(3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol has a molecular weight of 524.94 g/mol, XLogP of 6.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-fluorooxan-2-ol is sourced from PubChem (CID 140966524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).