(1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane

C113H146Cl4N15O10P3Si3 — CID 167586098

About (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane

(1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane (PubChem CID 167586098) has the molecular formula C113H146Cl4N15O10P3Si3 and a molecular weight of 2193.50 g/mol. Its IUPAC name is (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane.

Molecular Properties

• Compound Name: (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane
• PubChem CID: 167586098
• Molecular Formula: C113H146Cl4N15O10P3Si3
• Molecular Weight: 2193.50 g/mol
• Exact Mass: 2189.87
• IUPAC Name: (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane
• SMILES: CCN(CC)CC.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1O.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1OP1O[C@H](C[Si](C)(c2ccccc2)c2ccccc2)[C@@H]2C[C@@H]3CCC[C@@H]3N21.CN1CCOCC1.C[Si](C[C@@H](O)[C@@H]1C[C@@H]2CCC[C@@H]2N1)(c1ccccc1)c1ccccc1.C[Si](C[C@H]1OP(Cl)N2[C@H]3CCC[C@H]3C[C@@H]12)(c1ccccc1)c1ccccc1.ClP(Cl)Cl
• InChI: InChI=1S/C40H45N6O4PSi.C22H27ClNOPSi.C22H29NOSi.C18H19N5O3.C6H15N.C5H11NO.Cl3P/c1-3-33-34(23-36(48-33)45-26-43-37-38(41-25-42-39(37)45)44-40(47)27-14-7-4-8-15-27)49-51-46-31-21-13-16-28(31)22-32(46)35(50-51)24-52(2,29-17-9-5-10-18-29)30-19-11-6-12-20-30;1-27(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22-21-15-17-9-8-14-20(17)24(21)26(23)25-22;1-25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22(24)21-15-17-9-8-14-20(17)23-21;1-2-13-12(24)8-14(26-13)23-10-21-15-16(19-9-20-17(15)23)22-18(25)11-6-4-3-5-7-11;1-4-7(5-2)6-3;1-6-2-4-7-5-3-6;1-4(2)3/h4-12,14-15,17-20,25-26,28,31-36H,3,13,16,21-24H2,1-2H3,(H,41,42,44,47);2-7,10-13,17,20-22H,8-9,14-16H2,1H3;2-7,10-13,17,20-24H,8-9,14-16H2,1H3;3-7,9-10,12-14,24H,2,8H2,1H3,(H,19,20,22,25);4-6H2,1-3H3;2-5H2,1H3;/t28-,31-,32-,33+,34?,35+,36+,51?;17-,20-,21-,22+,26?;17-,20-,21-,22+;12?,13-,14-;;;/m0001.../s1
• InChIKey: HVBWKLMWCDMCJJ-RPPTZSMOSA-N
• XLogP: 21.04
• TPSA: 266.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.50
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

The IUPAC name of (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane (CID 167586098) is (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane.

What is the SMILES notation for (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

The canonical SMILES for (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane is CCN(CC)CC.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1O.CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)CC1OP1O[C@H](C[Si](C)(c2ccccc2)c2ccccc2)[C@@H]2C[C@@H]3CCC[C@@H]3N21.CN1CCOCC1.C[Si](C[C@@H](O)[C@@H]1C[C@@H]2CCC[C@@H]2N1)(c1ccccc1)c1ccccc1.C[Si](C[C@H]1OP(Cl)N2[C@H]3CCC[C@H]3C[C@@H]12)(c1ccccc1)c1ccccc1.ClP(Cl)Cl.

What is the InChIKey of (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

The InChIKey is HVBWKLMWCDMCJJ-RPPTZSMOSA-N. The full InChI is InChI=1S/C40H45N6O4PSi.C22H27ClNOPSi.C22H29NOSi.C18H19N5O3.C6H15N.C5H11NO.Cl3P/c1-3-33-34(23-36(48-33)45-26-43-37-38(41-25-42-39(37)45)44-40(47)27-14-7-4-8-15-27)49-51-46-31-21-13-16-28(31)22-32(46)35(50-51)24-52(2,29-17-9-5-10-18-29)30-19-11-6-12-20-30;1-27(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22-21-15-17-9-8-14-20(17)24(21)26(23)25-22;1-25(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22(24)21-15-17-9-8-14-20(17)23-21;1-2-13-12(24)8-14(26-13)23-10-21-15-16(19-9-20-17(15)23)22-18(25)11-6-4-3-5-7-11;1-4-7(5-2)6-3;1-6-2-4-7-5-3-6;1-4(2)3/h4-12,14-15,17-20,25-26,28,31-36H,3,13,16,21-24H2,1-2H3,(H,41,42,44,47);2-7,10-13,17,20-22H,8-9,14-16H2,1H3;2-7,10-13,17,20-24H,8-9,14-16H2,1H3;3-7,9-10,12-14,24H,2,8H2,1H3,(H,19,20,22,25);4-6H2,1-3H3;2-5H2,1H3;/t28-,31-,32-,33+,34?,35+,36+,51?;17-,20-,21-,22+,26?;17-,20-,21-,22+;12?,13-,14-;;;/m0001.../s1.

What are the key properties of (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

(1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane has a molecular weight of 2193.50 g/mol, XLogP of 21.04, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]-2-[methyl(diphenyl)silyl]ethanol;[(2S,6S,8S,9S)-11-chloro-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-9-yl]methyl-methyl-diphenylsilane;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-ethyl-4-[[(2S,6S,8S,9S)-9-[[methyl(diphenyl)silyl]methyl]-10-oxa-1-aza-11-phosphatricyclo[6.3.0.02,6]undecan-11-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane is sourced from PubChem (CID 167586098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).