(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one

C24H24O4Si — CID 162995378

IUPAC(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
SMILESO=C1C[C@@H](O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H24O4Si/c25-19-16-20(28-24(26)17-19)18-27-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19-20,25H,16-18H2/t19-,20-/m0/s1
InChIKeyRGQPWBYRWFJZDN-PMACEKPBSA-N
MW404.54 g/mol
LogP1.74
Rot. Bonds6

About (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one

(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one (PubChem CID 162995378) has the molecular formula C24H24O4Si and a molecular weight of 404.54 g/mol. Its IUPAC name is (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Name(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
PubChem CID162995378
Molecular FormulaC24H24O4Si
Molecular Weight404.54 g/mol
Exact Mass404.14
IUPAC Name(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one
SMILESO=C1C[C@@H](O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H24O4Si/c25-19-16-20(28-24(26)17-19)18-27-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19-20,25H,16-18H2/t19-,20-/m0/s1
InChIKeyRGQPWBYRWFJZDN-PMACEKPBSA-N
XLogP1.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one?
The IUPAC name of (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one (CID 162995378) is (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one?
The canonical SMILES for (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one is O=C1C[C@@H](O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one?
The InChIKey is RGQPWBYRWFJZDN-PMACEKPBSA-N. The full InChI is InChI=1S/C24H24O4Si/c25-19-16-20(28-24(26)17-19)18-27-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,19-20,25H,16-18H2/t19-,20-/m0/s1.
What are the key properties of (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one?
(4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one has a molecular weight of 404.54 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-hydroxy-6-(triphenylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 162995378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).