Cas no 149849-90-1 (AAL Toxin TB1)
AAL Toxin TB1 structure
Product Name:AAL Toxin TB1
CAS No:149849-90-1
MF:C25H47NO9
MW:505.641988992691
CID:2017491
PubChem ID:102004382
Update Time:2025-04-21
AAL Toxin TB1 Chemical and Physical Properties
Names and Identifiers
-
- AAL Toxin TB1
- NS00094873
- 2-[2-[(3R,4R,5S,7S,14R,16S)-17-amino-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid
- DTXCID601031032
- AAL toxin TB
- 149849-90-1
- DTXSID20891795
-
- Inchi： 1S/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)
- InChI Key： CTXQVLLVFBNZKL-UHFFFAOYSA-N
- SMILES： CCC(C(C(OC(CC(C(=O)O)CC(=O)O)=O)CC(CCCCCCC(CC(CN)O)O)C)O)C
Computed Properties
- Exact Mass: 505.32508208Da
- Monoisotopic Mass: 505.32508208Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 35
- Rotatable Bond Count: 22
- Complexity: 616
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 188?2
Experimental Properties
- Color/Form: Powder
AAL Toxin TB1 Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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