Cas no 146-40-7 (quinine diascorbate)
quinine diascorbate structure
Product Name:quinine diascorbate
CAS No:146-40-7
MF:C32H40N2O14
MW:676.665010452271
CID:1317253
PubChem ID:76183929
Update Time:2025-04-20
quinine diascorbate Chemical and Physical Properties
Names and Identifiers
-
- quinine diascorbate
- Quinine ascorbate [USAN]
- L-Ascorbic acid, compound with quinine (2:1)
- Quinine ascorbate
- Quinine biascorbate
- L-Ascorbic acid, compound with (8alpha,9R)-6'-methoxycinchonan-9-ol (2:1)
- (4beta,8alpha,9R)-6'-methoxycinchonan-9-ol - L-threo-hex-1-enofuranos-3-ulose (1:2)
- 146-40-7
-
- Inchi： 1S/C20H24N2O2.2C6H8O6/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*7-1-2(8)5-3(9)4(10)6(11)12-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*2,5,7-10H,1H2
- InChI Key： CJHQUYQRCLIWSW-UHFFFAOYSA-N
- SMILES： OC(C1C=CN=C2C=CC(=CC=12)OC)C1CC2CCN1CC2C=C.O1C(C(=C(C1C(CO)O)O)O)=O.O1C(C(=C(C1C(CO)O)O)O)=O
Computed Properties
- Exact Mass: 676.248
- Monoisotopic Mass: 676.24795395g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 48
- Rotatable Bond Count: 8
- Complexity: 689
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 260?2
Experimental Properties
- PSA: 260.03
quinine diascorbate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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