Cas no 136379-60-7 (1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester, (2R,2'R)-)

1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester, (2R,2'R)- structure
136379-60-7 structure
Product Name:1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester, (2R,2'R)-
CAS No:136379-60-7
MF:C34H59NO13
MW:689.83117222786
CID:170384
PubChem ID:42608359
Update Time:2025-04-19

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

Names and Identifiers

    • 1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester, (2R,2'R)-
    • fumonisin B4
    • 1,2,3-Propanetricarboxylic acid, 1,1'-((1S,2R)-1-(12-amino-11-hydroxy-2-methyltridecyl)-2-((1R)-1-methylpentyl)-1,2-ethanediyl) ester
    • 2,2'-{[(5S,6S,7R,9R,18S,19R)-19-amino-18-hydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
    • NS00094921
    • HY-N12329
    • (2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-amino-18-hydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid
    • (2R)-2-[2-[(5R,6R,7S,9S,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
    • 136379-60-7
    • CS-0897823
    • Q63395740
    • LMSP01080025
    • CHEBI:133832
    • CHEBI:184805
    • 2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-18-hydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid
    • 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
    • Inchi： 1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1
    • InChI Key： WYYKRDVIBOEORL-JLCKPESSSA-N
    • SMILES： O(C(C[C@H](C(=O)O)CC(=O)O)=O)[C@@H](C[C@@H](C)CCCCCCCC[C@@H]([C@H](C)N)O)[C@@H]([C@H](C)CCCC)OC(C[C@H](C(=O)O)CC(=O)O)=O

Computed Properties

  • Exact Mass: 689.399
  • Monoisotopic Mass: 689.399
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 31
  • Complexity: 1000
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 248A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.19
  • Boiling Point: 821.1°Cat760mmHg
  • Flash Point: 450.4°C
  • Refractive Index: 1.512

1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester, (2R,2'R)- Related Literature

Related Categories

136379-60-7 (1,2,3-Propanetricarboxylicacid,1,1'-[(1S,2R)-1-[(2S,11S,12S)-12-amino-11-hydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl]ester, (2R,2'R)-) Related Products

Recommended suppliers
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.