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

C21H29NO5Si — CID 58999748

IUPAC(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C21H29NO5Si/c1-20(2,3)28(4,5)27-18-16(23)11-12-21(19(18)25)13-17(24)22(21)26-14-15-9-7-6-8-10-15/h6-12,18-19,25H,13-14H2,1-5H3/t18-,19-,21+/m1/s1
InChIKeyGDKWRIZLOXZBJH-SBHAEUEKSA-N
MW403.55 g/mol
LogP2.98
Rot. Bonds5

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

(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione (PubChem CID 58999748) has the molecular formula C21H29NO5Si and a molecular weight of 403.55 g/mol. Its IUPAC name is (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione.

Molecular Properties

Compound Name(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione
PubChem CID58999748
Molecular FormulaC21H29NO5Si
Molecular Weight403.55 g/mol
Exact Mass403.18
IUPAC Name(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O
InChIInChI=1S/C21H29NO5Si/c1-20(2,3)28(4,5)27-18-16(23)11-12-21(19(18)25)13-17(24)22(21)26-14-15-9-7-6-8-10-15/h6-12,18-19,25H,13-14H2,1-5H3/t18-,19-,21+/m1/s1
InChIKeyGDKWRIZLOXZBJH-SBHAEUEKSA-N
XLogP2.98
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The IUPAC name of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione (CID 58999748) is (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione.
What is the SMILES notation for (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The canonical SMILES for (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione is CC(C)(C)[Si](C)(C)O[C@@H]1C(=O)C=C[C@]2(CC(=O)N2OCc2ccccc2)[C@@H]1O.
What is the InChIKey of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
The InChIKey is GDKWRIZLOXZBJH-SBHAEUEKSA-N. The full InChI is InChI=1S/C21H29NO5Si/c1-20(2,3)28(4,5)27-18-16(23)11-12-21(19(18)25)13-17(24)22(21)26-14-15-9-7-6-8-10-15/h6-12,18-19,25H,13-14H2,1-5H3/t18-,19-,21+/m1/s1.
What are the key properties of (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione?
(4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione has a molecular weight of 403.55 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylmethoxy-1-azaspiro[3.5]non-8-ene-2,7-dione is sourced from PubChem (CID 58999748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).