N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide

C24H33NO6Si — CID 87937869

IUPACN-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO6Si/c1-17(27)25-20(15-26)22(29)23(30)21(28)16-31-32(24(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20-23,28-30H,16H2,1-4H3,(H,25,27)/t20-,21-,22-,23-/m1/s1
InChIKeyXGOSOAUGLXIPTL-SSGKUCQKSA-N
MW459.62 g/mol
LogP0.35
Rot. Bonds10

About N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide

N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide (PubChem CID 87937869) has the molecular formula C24H33NO6Si and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide
PubChem CID87937869
Molecular FormulaC24H33NO6Si
Molecular Weight459.62 g/mol
Exact Mass459.21
IUPAC NameN-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide
SMILESCC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO6Si/c1-17(27)25-20(15-26)22(29)23(30)21(28)16-31-32(24(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20-23,28-30H,16H2,1-4H3,(H,25,27)/t20-,21-,22-,23-/m1/s1
InChIKeyXGOSOAUGLXIPTL-SSGKUCQKSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide (CID 87937869) is N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide is CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide?
The InChIKey is XGOSOAUGLXIPTL-SSGKUCQKSA-N. The full InChI is InChI=1S/C24H33NO6Si/c1-17(27)25-20(15-26)22(29)23(30)21(28)16-31-32(24(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20-23,28-30H,16H2,1-4H3,(H,25,27)/t20-,21-,22-,23-/m1/s1.
What are the key properties of N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide?
N-[(2S,3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide has a molecular weight of 459.62 g/mol, XLogP of 0.35, 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)-6-[tert-butyl(diphenyl)silyl]oxy-3,4,5-trihydroxy-1-oxohexan-2-yl]acetamide is sourced from PubChem (CID 87937869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).