Cas no 73489-04-0 ( )
structure
Product Name:
CAS No:73489-04-0
MF:C26H36O11
MW:524.55744934082
CID:978108
PubChem ID:5384125
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Tetraludin C
- TETRALUDIN B
- NSC307986
- NSC307987
- 73489-04-0
- NSC-307986
- NSC-307987
- 73522-61-9
-
-
- Inchi： 1S/C26H36O11/c1-12-9-8-10-17(24(31)34-7)20(36-22(29)13(2)15(4)27)21(37-25(32)26(6,33)16(5)28)19-14(3)23(30)35-18(19)11-12/h10-11,13,15-16,18-21,27-28,33H,3,8-9H2,1-2,4-7H3/b12-11+,17-10+
- InChI Key： OQBDEQQBLOQXJR-CJECMMIBSA-N
- SMILES： O1C(C(=C)C2C1C=C(C)CCC=C(C(=O)OC)C(C2OC(C(C)(C(C)O)O)=O)OC(C(C)C(C)O)=O)=O |c:7,t:12|
Computed Properties
- Exact Mass: 524.22600
- Monoisotopic Mass: 524.22576196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 37
- Rotatable Bond Count: 10
- Complexity: 997
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 166?2
Experimental Properties
- PSA: 165.89000
- LogP: 0.89600
Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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