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2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3-Carboxy-5-Hydroxy-5-Oxopentanoyl)Oxy-18-Hydroxy-5,9-Dimethylicosan-7-Yl]Oxy-2-Oxoethyl]Butanedioic Acid
[CAS# 136379-60-7]

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Identification
Name 2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3-Carboxy-5-Hydroxy-5-Oxopentanoyl)Oxy-18-Hydroxy-5,9-Dimethylicosan-7-Yl]Oxy-2-Oxoethyl]Butanedioic Acid
Synonyms 2-[2-[(1R,3R,12S,13R)-13-Amino-1-[(1S,2S)-1-(3-Carboxy-5-Hydroxy-5-Oxo-Pentanoyl)Oxy-2-Methyl-Hexyl]-12-Hydroxy-3-Methyl-Tetradecoxy]-2-Oxo-Ethyl]Butanedioic Acid; 2-[2-[(1R,3R,12S,13R)-13-Amino-1-[(1S,2S)-1-(3-Carboxy-5-Hydroxy-1,5-Dioxopentoxy)-2-Methylhexyl]-12-Hydroxy-3-Methyltetradecoxy]-2-Oxoethyl]Butanedioic Acid; 2-[2-[(1R,3R,12S,13R)-13-Amino-1-[(1S,2S)-1-(3-Carboxy-5-Hydroxy-5-Keto-Pentanoyl)Oxy-2-Methyl-Hexyl]-12-Hydroxy-3-Methyl-Tetradecoxy]-2-Keto-Ethyl]Succinic Acid
Molecular Structure CAS#: 136379-60-7, 2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3-Carboxy-5-Hydroxy-5-Oxopentanoyl)Oxy-18-Hydroxy-5,9-Dimethylicosan-7-Yl]Oxy-2-Oxoethyl]Butanedioic Acid
Molecular Formula C34H59NO13
Molecular Weight 689.84
CAS Registry Number 136379-60-7
SMILES [C@@H](OC(=O)CC(C(=O)O)CC(=O)O)([C@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@@H](CCCCCCCC[C@H](O)[C@H](N)C)C)[C@H](CCCC)C
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+/m1/s1
InChIKey WYYKRDVIBOEORL-YCPRMCKCSA-N
Properties
Desity 1.191g/cm3 (Cal.)
Boiling point 821.06°C at 760 mmHg (Cal.)
Flash point 450.361°C (Cal.)
Market Analysis Reports
List of Reports Available for 2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3-Carboxy-5-Hydroxy-5-Oxopentanoyl)Oxy-18-Hydroxy-5,9-Dimethylicosan-7-Yl]Oxy-2-Oxoethyl]Butanedioic Acid
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