(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one

C25H41NO6Si2 — CID 11562506

IUPAC(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]2(C=C[C@@]1(O)CO)CC(=O)N2OCc1ccccc1
InChIInChI=1S/C25H41NO6Si2/c1-23(2,3)34(7,8)32-22-21(31-33(4,5)6)24(14-15-25(22,29)18-27)16-20(28)26(24)30-17-19-12-10-9-11-13-19/h9-15,21-22,27,29H,16-18H2,1-8H3/t21-,22+,24+,25-/m1/s1
InChIKeyFEBDGEGLZKJKKM-BPJRBCGYSA-N
MW507.78 g/mol
LogP3.99
Rot. Bonds8

About (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one

(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 11562506) has the molecular formula C25H41NO6Si2 and a molecular weight of 507.78 g/mol. Its IUPAC name is (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one.

Molecular Properties

Compound Name(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
PubChem CID11562506
Molecular FormulaC25H41NO6Si2
Molecular Weight507.78 g/mol
Exact Mass507.25
IUPAC Name(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]2(C=C[C@@]1(O)CO)CC(=O)N2OCc1ccccc1
InChIInChI=1S/C25H41NO6Si2/c1-23(2,3)34(7,8)32-22-21(31-33(4,5)6)24(14-15-25(22,29)18-27)16-20(28)26(24)30-17-19-12-10-9-11-13-19/h9-15,21-22,27,29H,16-18H2,1-8H3/t21-,22+,24+,25-/m1/s1
InChIKeyFEBDGEGLZKJKKM-BPJRBCGYSA-N
XLogP3.99
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The IUPAC name of (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (CID 11562506) is (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one.
What is the SMILES notation for (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The canonical SMILES for (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@]2(C=C[C@@]1(O)CO)CC(=O)N2OCc1ccccc1.
What is the InChIKey of (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is FEBDGEGLZKJKKM-BPJRBCGYSA-N. The full InChI is InChI=1S/C25H41NO6Si2/c1-23(2,3)34(7,8)32-22-21(31-33(4,5)6)24(14-15-25(22,29)18-27)16-20(28)26(24)30-17-19-12-10-9-11-13-19/h9-15,21-22,27,29H,16-18H2,1-8H3/t21-,22+,24+,25-/m1/s1.
What are the key properties of (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 507.78 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-7-(hydroxymethyl)-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 11562506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).