(4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile

C23H34N2O7Si — CID 89226795

IUPAC(4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile
SMILESCC(C)(C[C@H]1[C@@H](O)[C@@]2(CC(=O)N2OCc2ccccc2)[C@@H](C#N)[C@H](O)[C@@]1(O)CO)[Si](C)(C)O
InChIInChI=1S/C23H34N2O7Si/c1-21(2,33(3,4)31)10-16-19(28)22(17(12-24)20(29)23(16,30)14-26)11-18(27)25(22)32-13-15-8-6-5-7-9-15/h5-9,16-17,19-20,26,28-31H,10-11,13-14H2,1-4H3/t16-,17-,19+,20-,22+,23+/m0/s1
InChIKeyYTLXKSPHNNIQIE-KWZWUOSESA-N
MW478.62 g/mol
LogP0.67
Rot. Bonds7

About (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile

(4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile (PubChem CID 89226795) has the molecular formula C23H34N2O7Si and a molecular weight of 478.62 g/mol. Its IUPAC name is (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile.

Molecular Properties

Compound Name(4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile
PubChem CID89226795
Molecular FormulaC23H34N2O7Si
Molecular Weight478.62 g/mol
Exact Mass478.21
IUPAC Name(4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile
SMILESCC(C)(C[C@H]1[C@@H](O)[C@@]2(CC(=O)N2OCc2ccccc2)[C@@H](C#N)[C@H](O)[C@@]1(O)CO)[Si](C)(C)O
InChIInChI=1S/C23H34N2O7Si/c1-21(2,33(3,4)31)10-16-19(28)22(17(12-24)20(29)23(16,30)14-26)11-18(27)25(22)32-13-15-8-6-5-7-9-15/h5-9,16-17,19-20,26,28-31H,10-11,13-14H2,1-4H3/t16-,17-,19+,20-,22+,23+/m0/s1
InChIKeyYTLXKSPHNNIQIE-KWZWUOSESA-N
XLogP0.67
TPSA154.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile?
The IUPAC name of (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile (CID 89226795) is (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile.
What is the SMILES notation for (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile?
The canonical SMILES for (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile is CC(C)(C[C@H]1[C@@H](O)[C@@]2(CC(=O)N2OCc2ccccc2)[C@@H](C#N)[C@H](O)[C@@]1(O)CO)[Si](C)(C)O.
What is the InChIKey of (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile?
The InChIKey is YTLXKSPHNNIQIE-KWZWUOSESA-N. The full InChI is InChI=1S/C23H34N2O7Si/c1-21(2,33(3,4)31)10-16-19(28)22(17(12-24)20(29)23(16,30)14-26)11-18(27)25(22)32-13-15-8-6-5-7-9-15/h5-9,16-17,19-20,26,28-31H,10-11,13-14H2,1-4H3/t16-,17-,19+,20-,22+,23+/m0/s1.
What are the key properties of (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile?
(4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile has a molecular weight of 478.62 g/mol, XLogP of 0.67, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S,7S,8S,9S)-5,7,8-trihydroxy-6-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-7-(hydroxymethyl)-2-oxo-1-phenylmethoxy-1-azaspiro[3.5]nonane-9-carbonitrile is sourced from PubChem (CID 89226795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).