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

C31H55NO6Si3 — CID 58668362

IUPAC(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO6Si3/c1-28(2,3)40(10,11)36-23-31(34)20-19-30(21-25(33)32(30)35-22-24-17-15-14-16-18-24)26(37-39(7,8)9)27(31)38-41(12,13)29(4,5)6/h14-20,26-27,34H,21-23H2,1-13H3/t26-,27+,30+,31-/m1/s1
InChIKeyMSKSEHQRGJZVLM-VGGPVXIDSA-N
MW622.04 g/mol
LogP7.02
Rot. Bonds10

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

(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 58668362) has the molecular formula C31H55NO6Si3 and a molecular weight of 622.04 g/mol. Its IUPAC name is (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-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-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
PubChem CID58668362
Molecular FormulaC31H55NO6Si3
Molecular Weight622.04 g/mol
Exact Mass621.33
IUPAC Name(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO6Si3/c1-28(2,3)40(10,11)36-23-31(34)20-19-30(21-25(33)32(30)35-22-24-17-15-14-16-18-24)26(37-39(7,8)9)27(31)38-41(12,13)29(4,5)6/h14-20,26-27,34H,21-23H2,1-13H3/t26-,27+,30+,31-/m1/s1
InChIKeyMSKSEHQRGJZVLM-VGGPVXIDSA-N
XLogP7.02
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.04
LogP ≤ 57.02
H-Bond Donors ≤ 51
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-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-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-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (CID 58668362) is (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-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-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-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-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is CC(C)(C)[Si](C)(C)OC[C@]1(O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is MSKSEHQRGJZVLM-VGGPVXIDSA-N. The full InChI is InChI=1S/C31H55NO6Si3/c1-28(2,3)40(10,11)36-23-31(34)20-19-30(21-25(33)32(30)35-22-24-17-15-14-16-18-24)26(37-39(7,8)9)27(31)38-41(12,13)29(4,5)6/h14-20,26-27,34H,21-23H2,1-13H3/t26-,27+,30+,31-/m1/s1.
What are the key properties of (4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
(4R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 622.04 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 58668362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).