(3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one

C27H39NO4Si — CID 11442765

IUPAC(3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)[C@H](O)C[C@@H](c2ccccc2)C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C27H39NO4Si/c1-27(2,3)33(4,5)32-22-16-24(29)25(30)17-23(21-14-10-7-11-15-21)26(31)28(19-22)18-20-12-8-6-9-13-20/h6-15,22-25,29-30H,16-19H2,1-5H3/t22-,23+,24-,25-/m1/s1
InChIKeyBKSZWKMCTGWXKG-ZFFYZDHPSA-N
MW469.70 g/mol
LogP4.70
Rot. Bonds5

About (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one

(3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one (PubChem CID 11442765) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one.

Molecular Properties

Compound Name(3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one
PubChem CID11442765
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Name(3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)[C@H](O)C[C@@H](c2ccccc2)C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C27H39NO4Si/c1-27(2,3)33(4,5)32-22-16-24(29)25(30)17-23(21-14-10-7-11-15-21)26(31)28(19-22)18-20-12-8-6-9-13-20/h6-15,22-25,29-30H,16-19H2,1-5H3/t22-,23+,24-,25-/m1/s1
InChIKeyBKSZWKMCTGWXKG-ZFFYZDHPSA-N
XLogP4.70
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-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

Related Compounds

(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide
CID 10528914
(2S)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide
CID 176441868
(3aR,5S,9R,10aR)-7-benzyl-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5-phenyl-4,5,8,9,10,10a-hexahydro-3aH-[1,3]dioxolo[4,5-e]azonin-6-one
CID 102250868
(3aS,4R,7aR)-2-benzyl-4-(hydroxymethyl)-5-[1-hydroxy-2-tri(propan-2-yl)silyloxyethyl]-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6710216
(2S,4S)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide
CID 10838626
(1R,3S,7R,9R)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-10-oxa-5-azabicyclo[7.1.0]decan-4-one
CID 11465136
(3S,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-3-phenylazonan-2-one
CID 102250856
(3R,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6-dihydroxyazonan-2-one
CID 102250867
(1S,3S,7R,9S)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-10-oxa-5-azabicyclo[7.1.0]decan-4-one
CID 102250870
(3R,5S,6S,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6-dihydroxyazonan-2-one
CID 102250879

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one?
The IUPAC name of (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one (CID 11442765) is (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one.
What is the SMILES notation for (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one?
The canonical SMILES for (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)[C@H](O)C[C@@H](c2ccccc2)C(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one?
The InChIKey is BKSZWKMCTGWXKG-ZFFYZDHPSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-27(2,3)33(4,5)32-22-16-24(29)25(30)17-23(21-14-10-7-11-15-21)26(31)28(19-22)18-20-12-8-6-9-13-20/h6-15,22-25,29-30H,16-19H2,1-5H3/t22-,23+,24-,25-/m1/s1.
What are the key properties of (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one?
(3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one has a molecular weight of 469.70 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R,8R)-1-benzyl-8-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-3-phenylazonan-2-one is sourced from PubChem (CID 11442765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).