Cas no 146-06-5 (Cinchonan-9-ol,6'-methoxy-, 9,9'-carbonate, (8a,9R)-)
146-06-5 structure
Product Name:Cinchonan-9-ol,6'-methoxy-, 9,9'-carbonate, (8a,9R)-
CAS No:146-06-5
MF:C41H46N4O5
MW:674.827750682831
CID:174366
PubChem ID:3083557
Update Time:2025-04-19
Cinchonan-9-ol,6'-methoxy-, 9,9'-carbonate, (8a,9R)- Chemical and Physical Properties
Names and Identifiers
-
- Cinchonan-9-ol,6'-methoxy-, 9,9'-carbonate, (8a,9R)-
- bis[(S)-[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] carbonate
- diquinine carbonate
- bis[(3alpha,8xi,9S)-6'-methoxycinchonan-9-yl] carbonate
- quinine carbonate
- Carbonic acid bis[(8α,9R)-6'-methoxycinchonan-9-yl] ester
- 146-06-5
- EINECS 205-662-6
- DTXSID50932741
- Bis(6'-methoxycinchonan-9-yl) carbonate
-
- Inchi： 1S/C41H46N4O5/c1-5-25-23-44-17-13-27(25)19-37(44)39(31-11-15-42-35-9-7-29(47-3)21-33(31)35)49-41(46)50-40(38-20-28-14-18-45(38)24-26(28)6-2)32-12-16-43-36-10-8-30(48-4)22-34(32)36/h5-12,15-16,21-22,25-28,37-40H,1-2,13-14,17-20,23-24H2,3-4H3/t25-,26-,27?,28?,37?,38?,39+,40+/m1/s1
- InChI Key： SGVOBPZBFAAJHA-QFLTYSJASA-N
- SMILES： O(C(=O)O[C@@H](C1C=CN=C2C=CC(=CC=12)OC)C1CC2CCN1C[C@H]2C=C)[C@@H](C1C=CN=C2C=CC(=CC=12)OC)C1CC2CCN1C[C@H]2C=C
Computed Properties
- Exact Mass: 674.34708
- Monoisotopic Mass: 674.34682058g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 50
- Rotatable Bond Count: 12
- Complexity: 1120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 7.1
- Topological Polar Surface Area: 86.2?2
Experimental Properties
- Density: 1.1305 (rough estimate)
- Melting Point: 189°C
- Boiling Point: 690.27°C (rough estimate)
- Refractive Index: 1.6000 (estimate)
- PSA: 86.25
Cinchonan-9-ol,6'-methoxy-, 9,9'-carbonate, (8a,9R)- Security Information
- Hazardous Material transportation number：1544
- HazardClass：6.1(b)
- PackingGroup：III
Cinchonan-9-ol,6'-methoxy-, 9,9'-carbonate, (8a,9R)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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