Cas no 79367-51-4 (AAL Toxin TA2)

AAL Toxin TA2 structure
AAL Toxin TA2 structure
Product Name:AAL Toxin TA2
CAS No:79367-51-4
MF:C25H47NO10
MW:521.6
CID:532940
PubChem ID:14970425
Update Time:2024-03-01

AAL Toxin TA2 Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylic acid,1-[(1R,2S,4S,10R,11S,13S)-14-amino-2,10,11,13-tetrahydroxy-4-methyl-1-[(1R)-1-methylpropyl]tetradecyl] ester, (2R)-
    • AAL Toxin TA2
    • CID 102004519
    • 1,2,3-Propanetricarboxylic acid, 1-[(1R,2S,4S,10R,11S,13S)-14-amino-2,10,11,13-tetrahydroxy-4-methyl-1-[(1R)-1-methylpropyl]tetradecyl] ester, (2R)-
    • 2-[2-(17-Amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl]butanedioic acid
    • CHEBI:219276
    • 79367-51-4
    • Inchi: 1S/C25H47NO10/c1-4-16(3)24(36-23(33)12-17(25(34)35)11-22(31)32)21(30)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-30H,4-14,26H2,1-3H3,(H,31,32)(H,34,35)/t15-,16+,17?,18-,19+,20-,21-,24+/m0/s1
    • InChI Key: DOFQASYPBACFKP-DHHJSWHASA-N
    • SMILES: O(C(CC(C(=O)O)CC(=O)O)=O)[C@H]([C@H](C)CC)[C@H](C[C@@H](C)CCCCC[C@H]([C@H](C[C@@H](CN)O)O)O)O

Computed Properties

  • Exact Mass: 521.31999670g/mol
  • Monoisotopic Mass: 521.31999670g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 22
  • Complexity: 646
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 208
  • XLogP3: -1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.211±0.06 g/cm3(Predicted)
  • Boiling Point: 757.6±60.0 °C(Predicted)
  • pka: 3.70±0.23(Predicted)

AAL Toxin TA2 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 325.00 2022-06-08
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