Cas no 146-39-4 ((8alpha,9R)-6-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) (2:1))
146-39-4 structure
Product Name:(8alpha,9R)-6-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) (2:1)
CAS No:146-39-4
MF:C43H57N4O10P
MW:820.907253026962
CID:199163
PubChem ID:118984347
Update Time:2025-04-19
(8alpha,9R)-6-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) (2:1) Chemical and Physical Properties
Names and Identifiers
-
- (8alpha,9R)-6-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) (2:1)
- (8alpha,9R)-6-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) ...
- 2,3-dihydroxypropyl [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] hydrogen phosphate
- QUININE GLYCEROPHOSPHATE
- (8alpha,9R)-6'-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) (2:1)
- 2,3-dihydroxypropyl dihydrogen phosphate - (4beta,8alpha,9R)-6'-methoxycinchonan-9-ol (1:2)
- CCRIS 5760
- UNII-ZP61X8C21F
- EINECS 205-669-4
- 146-39-4
- Q27271448
- Kineurine
- UNII-9212688A9J
- Quinine 1-glycerophosphate
- 9212688A9J
- Quinine glycerophosphate [NF]
- CHEMBL3707252
-
- Inchi： 1S/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(5)2-9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)/t2*13-,14-,19-,20+;/m00./s1
- InChI Key： YZDDKALBXAGVHK-VMJVVOMYSA-N
- SMILES： P(=O)(O)(O)OCC(CO)O.O[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C.O[C@H](C1C=CN=C2C=CC(=CC=12)OC)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C
Computed Properties
- Exact Mass: 820.38151
- Monoisotopic Mass: 820.381
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- Rotatable Bond Count: 10
- Complexity: 712
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 198A^2
Experimental Properties
- Boiling Point: 495.9°C at 760 mmHg
- Flash Point: 253.7°C
- PSA: 198.4
- LogP: 2.60560
(8alpha,9R)-6-Methoxycinchonan-9-ol, compound with 2,3-dihydroxypropyl (dihydrogen phosphate) (2:1) Related Literature
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1. The electric dipole moments of chloro-anilines and of some chloro-, bromo-, and nitro-substituted amino-pyridines in benzene and 1,4-dioxan solutionsC. W. N. Cumper,A. Singleton J. Chem. Soc. B 1968 645
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