Cas no 110159-29-0 (Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3B,4B-diacetate 3-propanoate)
110159-29-0 structure
Product Name:Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3B,4B-diacetate 3-propanoate
CAS No:110159-29-0
MF:C50H82N2O17
MW:983.189297199249
CID:160766
PubChem ID:6448026
Update Time:2025-04-19
Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3B,4B-diacetate 3-propanoate Chemical and Physical Properties
Names and Identifiers
-
- Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3B,4B-diacetate 3-propanoate
- LogP
- [(11Z,13E)-6-[5-(4,5-diacetyloxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-
- Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3(sup B),4(sup B)-diacetate 3-propanoate, (9-(2R,5S,6R))-
- 110159-29-0
- 3'',4''-Diacetylspiramycin III
-
- Inchi: 1S/C50H82N2O17/c1-15-39(56)65-38-26-40(57)60-29(3)19-17-16-18-20-37(66-41-22-21-36(51(10)11)30(4)61-41)28(2)25-35(23-24-53)46(47(38)59-14)68-49-44(58)43(52(12)13)45(31(5)63-49)67-42-27-50(9,69-34(8)55)48(32(6)62-42)64-33(7)54/h16-18,20,24,28-32,35-38,41-49,58H,15,19,21-23,25-27H2,1-14H3/b17-16+,20-18-
- InChI Key: BQLZZUKTDQZPOP-ZGKINNLQSA-N
- SMILES: O(C1CC(C)(C(C(C)O1)OC(C)=O)OC(C)=O)C1C(C)OC(C(C1N(C)C)O)OC1C(C(CC(=O)OC(C)CC=CC=CC(C(C)CC1CC=O)OC1CCC(C(C)O1)N(C)C)OC(CC)=O)OC |c:43,t:41|
Computed Properties
- Exact Mass: 982.56134915g/mol
- Monoisotopic Mass: 982.56134915g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 69
- Rotatable Bond Count: 18
- Complexity: 1730
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 19
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 214?2
Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3B,4B-diacetate 3-propanoate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
110159-29-0 (Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-,3B,4B-diacetate 3-propanoate) Related Products
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