Cas no 149849-91-2 (AAL Toxin TB2)
AAL Toxin TB2 structure
Product Name:AAL Toxin TB2
CAS No:149849-91-2
MF:C25H47NO9
MW:505.641988992691
CID:2045999
PubChem ID:14970427
Update Time:2025-04-21
AAL Toxin TB2 Chemical and Physical Properties
Names and Identifiers
-
- AAL Toxin TB2
- 2-[2-(17-amino-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl]butanedioic acid
- 149849-91-2
- CHEBI:205567
- AAL toxin
- 2-(2-(17-amino-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl)butanedioic acid
- 2-(2-((17-Amino-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl)oxy)-2-oxoethyl)succinic acid
-
- Inchi： 1S/C25H47NO9/c1-4-17(3)24(35-23(32)13-18(25(33)34)12-22(30)31)21(29)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-29H,4-15,26H2,1-3H3,(H,30,31)(H,33,34)
- InChI Key： RXORSUNDLFDGCD-UHFFFAOYSA-N
- SMILES： O(C(CC(C(=O)O)CC(=O)O)=O)C(C(C)CC)C(CC(C)CCCCCCC(CC(CN)O)O)O
Computed Properties
- Exact Mass: 505.32508208g/mol
- Monoisotopic Mass: 505.32508208g/mol
- 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: 0
- Undefined Atom Stereocenter Count : 7
- 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 TB2 Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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