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

C30H53NO6Si3 — CID 69241668

IUPAC(4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-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)O[Si](C)(C)C(C)(C)C)CC(=O)N2OCc1ccccc1
InChIInChI=1S/C30H53NO6Si3/c1-27(2,3)39(10,11)36-26-25(35-38(7,8)9)29(19-20-30(26,33)37-40(12,13)28(4,5)6)21-24(32)31(29)34-22-23-17-15-14-16-18-23/h14-20,25-26,33H,21-22H2,1-13H3/t25-,26+,29+,30-/m1/s1
InChIKeyFLLBGFZXOZVMIH-MOXFVITDSA-N
MW608.01 g/mol
LogP6.98
Rot. Bonds9

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

(4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 69241668) has the molecular formula C30H53NO6Si3 and a molecular weight of 608.01 g/mol. Its IUPAC name is (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one.

Molecular Properties

Compound Name(4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one
PubChem CID69241668
Molecular FormulaC30H53NO6Si3
Molecular Weight608.01 g/mol
Exact Mass607.32
IUPAC Name(4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-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)O[Si](C)(C)C(C)(C)C)CC(=O)N2OCc1ccccc1
InChIInChI=1S/C30H53NO6Si3/c1-27(2,3)39(10,11)36-26-25(35-38(7,8)9)29(19-20-30(26,33)37-40(12,13)28(4,5)6)21-24(32)31(29)34-22-23-17-15-14-16-18-23/h14-20,25-26,33H,21-22H2,1-13H3/t25-,26+,29+,30-/m1/s1
InChIKeyFLLBGFZXOZVMIH-MOXFVITDSA-N
XLogP6.98
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.01
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The IUPAC name of (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one (CID 69241668) is (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-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)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The canonical SMILES for (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-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)O[Si](C)(C)C(C)(C)C)CC(=O)N2OCc1ccccc1.
What is the InChIKey of (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is FLLBGFZXOZVMIH-MOXFVITDSA-N. The full InChI is InChI=1S/C30H53NO6Si3/c1-27(2,3)39(10,11)36-26-25(35-38(7,8)9)29(19-20-30(26,33)37-40(12,13)28(4,5)6)21-24(32)31(29)34-22-23-17-15-14-16-18-23/h14-20,25-26,33H,21-22H2,1-13H3/t25-,26+,29+,30-/m1/s1.
What are the key properties of (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one?
(4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 608.01 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S,7R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-1-phenylmethoxy-5-trimethylsilyloxy-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 69241668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).