[(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane

C107H176Cl4N15O10P3Si3 — CID 167665994

About [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane

[(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane (PubChem CID 167665994) has the molecular formula C107H176Cl4N15O10P3Si3 and a molecular weight of 2151.67 g/mol. Its IUPAC name is [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane.

Molecular Properties

• Compound Name: [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane
• PubChem CID: 167665994
• Molecular Formula: C107H176Cl4N15O10P3Si3
• Molecular Weight: 2151.67 g/mol
• Exact Mass: 2148.10
• IUPAC Name: [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-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]2CCCCN21.CN1CCOCC1.C[Si](C[C@@H]1OP(Cl)N2CCCC[C@@H]12)(C1CCCCC1)C1CCCCC1.C[Si](C[C@H](O)[C@@H]1CCCCN1)(C1CCCCC1)C1CCCCC1.ClP(Cl)Cl
• InChI: InChI=1S/C38H55N6O4PSi.C20H37ClNOPSi.C20H39NOSi.C18H19N5O3.C6H15N.C5H11NO.Cl3P/c1-3-31-32(23-34(46-31)43-26-41-35-36(39-25-40-37(35)43)42-38(45)27-15-7-4-8-16-27)47-49-44-22-14-13-21-30(44)33(48-49)24-50(2,28-17-9-5-10-18-28)29-19-11-6-12-20-29;1-25(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20-19-14-8-9-15-22(19)24(21)23-20;1-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20(22)19-14-8-9-15-21-19;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/h4,7-8,15-16,25-26,28-34H,3,5-6,9-14,17-24H2,1-2H3,(H,39,40,42,45);17-20H,2-16H2,1H3;17-22H,2-16H2,1H3;3-7,9-10,12-14,24H,2,8H2,1H3,(H,19,20,22,25);4-6H2,1-3H3;2-5H2,1H3;/t30-,31+,32?,33-,34+,49?;19-,20-,24?;19-,20-;12?,13-,14-;;;/m0001.../s1
• InChIKey: SQMHRQVDVNIZAG-LGNOOJPVSA-N
• XLogP: 28.44
• TPSA: 266.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.67
LogP ≤ 5	28.44
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 [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

The IUPAC name of [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane (CID 167665994) is [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane.

What is the SMILES notation for [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

The canonical SMILES for [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-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]2CCCCN21.CN1CCOCC1.C[Si](C[C@@H]1OP(Cl)N2CCCC[C@@H]12)(C1CCCCC1)C1CCCCC1.C[Si](C[C@H](O)[C@@H]1CCCCN1)(C1CCCCC1)C1CCCCC1.ClP(Cl)Cl.

What is the InChIKey of [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

The InChIKey is SQMHRQVDVNIZAG-LGNOOJPVSA-N. The full InChI is InChI=1S/C38H55N6O4PSi.C20H37ClNOPSi.C20H39NOSi.C18H19N5O3.C6H15N.C5H11NO.Cl3P/c1-3-31-32(23-34(46-31)43-26-41-35-36(39-25-40-37(35)43)42-38(45)27-15-7-4-8-16-27)47-49-44-22-14-13-21-30(44)33(48-49)24-50(2,28-17-9-5-10-18-28)29-19-11-6-12-20-29;1-25(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20-19-14-8-9-15-22(19)24(21)23-20;1-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20(22)19-14-8-9-15-21-19;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/h4,7-8,15-16,25-26,28-34H,3,5-6,9-14,17-24H2,1-2H3,(H,39,40,42,45);17-20H,2-16H2,1H3;17-22H,2-16H2,1H3;3-7,9-10,12-14,24H,2,8H2,1H3,(H,19,20,22,25);4-6H2,1-3H3;2-5H2,1H3;/t30-,31+,32?,33-,34+,49?;19-,20-,24?;19-,20-;12?,13-,14-;;;/m0001.../s1.

What are the key properties of [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane?

[(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane has a molecular weight of 2151.67 g/mol, XLogP of 28.44, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,3aS)-1-chloro-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-3-yl]methyl-dicyclohexyl-methylsilane;N-[9-[(2R,5R)-4-[[(3R,3aS)-3-[[dicyclohexyl(methyl)silyl]methyl]-3,3a,4,5,6,7-hexahydro-[1,3,2]oxazaphospholo[3,4-a]pyridin-1-yl]oxy]-5-ethyloxolan-2-yl]purin-6-yl]benzamide;(1R)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol;N,N-diethylethanamine;N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide;4-methylmorpholine;trichlorophosphane is sourced from PubChem (CID 167665994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).