N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide

C24H33NO6Si — CID 173199164

IUPACN-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)[SiH](c1ccccc1)c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COC(C)(C)C
InChIInChI=1S/C24H33NO6Si/c1-16(26)25-20(22(29)21(28)19(27)15-31-24(2,3)4)23(30)32(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-22,27-29,32H,15H2,1-4H3,(H,25,26)/t19-,20+,21-,22-/m1/s1
InChIKeyHDTQJTDFVBGVKQ-CIAFKFPVSA-N
MW459.62 g/mol
LogP-0.46
Rot. Bonds10

About N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide

N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide (PubChem CID 173199164) has the molecular formula C24H33NO6Si and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide
PubChem CID173199164
Molecular FormulaC24H33NO6Si
Molecular Weight459.62 g/mol
Exact Mass459.21
IUPAC NameN-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)[SiH](c1ccccc1)c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COC(C)(C)C
InChIInChI=1S/C24H33NO6Si/c1-16(26)25-20(22(29)21(28)19(27)15-31-24(2,3)4)23(30)32(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-22,27-29,32H,15H2,1-4H3,(H,25,26)/t19-,20+,21-,22-/m1/s1
InChIKeyHDTQJTDFVBGVKQ-CIAFKFPVSA-N
XLogP-0.46
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide (CID 173199164) is N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide is CC(=O)N[C@H](C(=O)[SiH](c1ccccc1)c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COC(C)(C)C.
What is the InChIKey of N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide?
The InChIKey is HDTQJTDFVBGVKQ-CIAFKFPVSA-N. The full InChI is InChI=1S/C24H33NO6Si/c1-16(26)25-20(22(29)21(28)19(27)15-31-24(2,3)4)23(30)32(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-22,27-29,32H,15H2,1-4H3,(H,25,26)/t19-,20+,21-,22-/m1/s1.
What are the key properties of N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide?
N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide has a molecular weight of 459.62 g/mol, XLogP of -0.46, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S,5R)-1-diphenylsilyl-3,4,5-trihydroxy-6-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]acetamide is sourced from PubChem (CID 173199164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).