(1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione

C23H29NO6Si — CID 134959165

IUPAC(1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN2C(=O)C[C@]3(O)C=CC(=O)C[C@]23c2cc3c(cc21)OCO3
InChIInChI=1S/C23H29NO6Si/c1-21(2,3)31(4,5)30-19-12-24-20(26)11-22(27)7-6-14(25)10-23(22,24)16-9-18-17(8-15(16)19)28-13-29-18/h6-9,19,27H,10-13H2,1-5H3/t19-,22+,23+/m0/s1
InChIKeyWFYQGJIJLNADAH-WWPVKYPJSA-N
MW443.57 g/mol
LogP3.18
Rot. Bonds2

About (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione

(1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione (PubChem CID 134959165) has the molecular formula C23H29NO6Si and a molecular weight of 443.57 g/mol. Its IUPAC name is (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione.

Molecular Properties

Compound Name(1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione
PubChem CID134959165
Molecular FormulaC23H29NO6Si
Molecular Weight443.57 g/mol
Exact Mass443.18
IUPAC Name(1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CN2C(=O)C[C@]3(O)C=CC(=O)C[C@]23c2cc3c(cc21)OCO3
InChIInChI=1S/C23H29NO6Si/c1-21(2,3)31(4,5)30-19-12-24-20(26)11-22(27)7-6-14(25)10-23(22,24)16-9-18-17(8-15(16)19)28-13-29-18/h6-9,19,27H,10-13H2,1-5H3/t19-,22+,23+/m0/s1
InChIKeyWFYQGJIJLNADAH-WWPVKYPJSA-N
XLogP3.18
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione with MolForge

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopent-2-en-1-one
CID 134967649
methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]oxirane-2-carboxylate
CID 11463077
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
tert-butyl (5R,6R)-8-[tert-butyl(dimethyl)silyl]oxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate
CID 71658829
lithium (2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3'-oxospiro[oxolane-2,7'-pyrrolo[1,2-c]pyrimidine]-1'-olate
CID 23706883
[(1S,11S,13S,15R,18R)-18-hydroxy-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-11-yl] acetate
CID 102484899
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
(1S,13S,15R,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
CID 165367463
(1R,13S,15S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
CID 21148541
(13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 5320704
(1R,11R,13S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
CID 162894671

Frequently Asked Questions

What is the IUPAC name of (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione?
The IUPAC name of (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione (CID 134959165) is (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione.
What is the SMILES notation for (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione?
The canonical SMILES for (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione is CC(C)(C)[Si](C)(C)O[C@H]1CN2C(=O)C[C@]3(O)C=CC(=O)C[C@]23c2cc3c(cc21)OCO3.
What is the InChIKey of (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione?
The InChIKey is WFYQGJIJLNADAH-WWPVKYPJSA-N. The full InChI is InChI=1S/C23H29NO6Si/c1-21(2,3)31(4,5)30-19-12-24-20(26)11-22(27)7-6-14(25)10-23(22,24)16-9-18-17(8-15(16)19)28-13-29-18/h6-9,19,27H,10-13H2,1-5H3/t19-,22+,23+/m0/s1.
What are the key properties of (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione?
(1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione has a molecular weight of 443.57 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R,16S)-11-[tert-butyl(dimethyl)silyl]oxy-16-hydroxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,17-tetraene-14,19-dione is sourced from PubChem (CID 134959165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).