Cas no 136379-59-4 (1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester)

1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester structure
136379-59-4 structure
Product Name:1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester
CAS No:136379-59-4
MF:C34H59NO14
MW:705.830572366714
MDL:MFCD08458745
CID:168102
PubChem ID:3034751
Update Time:2025-04-19

1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester
    • 1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpen
    • FUMONISIN B3
    • Fumonisin B3 solution
    • 50μg
    • FB1
    • FUMONISIN B1
    • FUMONISIN B1 FROM FUSARIUM MONILIFORME
    • FUMONISIN B1, FUSARIUM MONILIFORME
    • fumonisin b1solution
    • MACROFUSINE
    • 2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
    • CCRIS 4435
    • FB3
    • 136379-59-4
    • CHEBI:169172
    • 1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-((2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester
    • Fumonisin-B3
    • 1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-4,11-dihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) ester
    • DTXSID20891856
    • NS00067048
    • 2-[2-[19-Amino-6-(3,4-dicarboxybutanoyloxy)-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
    • Epi-Fumonisin B3
    • MDL： MFCD08458745
    • Inchi： 1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
    • InChI Key： CPCRJSQNWHCGOP-UHFFFAOYSA-N
    • SMILES： O(C(CC(C(=O)O)CC(=O)O)=O)C(CC(C)CC(CCCCCCC(C(C)N)O)O)C(C(C)CCCC)OC(CC(C(=O)O)CC(=O)O)=O

Computed Properties

  • Exact Mass: 705.393556
  • Monoisotopic Mass: 705.393556
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 31
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 268
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.222
  • Boiling Point: 867°Cat760mmHg
  • Flash Point: 6℃
  • Refractive Index: 1.52
  • Solubility: water: soluble
  • PSA: 268.28000
  • LogP: 4.29370

1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester Security Information

  • Hazardous Material transportation number：UN 1648 3 / PGII
  • Hazard Category Code： 11-20/21/22-36
  • Safety Instruction： 16-26-36/37
  • Hazardous Material Identification： F Xn
  • Storage Condition：?20°C

1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
32606-1ML
1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester
 136379-59-4
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 ￥8997.17 2023-10-25
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.
32606-1l
1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester
 136379-59-4
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1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester Related Literature

Related Categories

136379-59-4 (1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,4R,11S,12R)-12-amino-4,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester) Related Products

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