magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate

C21H20MgN2O6Si — CID 88673819

IUPACmagnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
SMILESCOC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12.O=[Si]([O-])[O-].[Mg+2]
InChIInChI=1S/C21H20N2O3.Mg.O3Si/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;;1-4(2)3/h3-8,11-12,15-16H,9-10H2,1-2H3;;/q;+2;-2/t12-,15-,16+;;/m0../s1
InChIKeyYJIUUQHDSZNDRM-MTGQHVAJSA-N
MW448.79 g/mol
LogP0.15
Rot. Bonds1

About magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate

magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate (PubChem CID 88673819) has the molecular formula C21H20MgN2O6Si and a molecular weight of 448.79 g/mol. Its IUPAC name is magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate.

Molecular Properties

Compound Namemagnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
PubChem CID88673819
Molecular FormulaC21H20MgN2O6Si
Molecular Weight448.79 g/mol
Exact Mass448.09
IUPAC Namemagnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
SMILESCOC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12.O=[Si]([O-])[O-].[Mg+2]
InChIInChI=1S/C21H20N2O3.Mg.O3Si/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;;1-4(2)3/h3-8,11-12,15-16H,9-10H2,1-2H3;;/q;+2;-2/t12-,15-,16+;;/m0../s1
InChIKeyYJIUUQHDSZNDRM-MTGQHVAJSA-N
XLogP0.15
TPSA116.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.79
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate?
The IUPAC name of magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate (CID 88673819) is magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate.
What is the SMILES notation for magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate?
The canonical SMILES for magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate is COC(=O)C1=CO[C@@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@H]12.O=[Si]([O-])[O-].[Mg+2].
What is the InChIKey of magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate?
The InChIKey is YJIUUQHDSZNDRM-MTGQHVAJSA-N. The full InChI is InChI=1S/C21H20N2O3.Mg.O3Si/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;;1-4(2)3/h3-8,11-12,15-16H,9-10H2,1-2H3;;/q;+2;-2/t12-,15-,16+;;/m0../s1.
What are the key properties of magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate?
magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate has a molecular weight of 448.79 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dioxido(oxo)silane;methyl (15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate is sourced from PubChem (CID 88673819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).