2-[25-Amino-22-(2-Amino-1-Hydroxy-2-Oxoethyl)-19-[6-Amino-4-Hydroxy-2-(3,4,5-Trihydroxyoxan-2-Yl)Oxypentadecyl]-12-[Hydroxy-(4-Hydroxyphenyl)Methyl]-6,15-Bis(Hydroxymethyl)-2,5,8,11,14,17,21,24-Octaoxo-1,4,7,10,13,16,20,23-Octazacycloheptacos-9-Yl]Acetic Acid
[CAS# 157184-36-6]

Identification

• Name: 2-[25-Amino-22-(2-Amino-1-Hydroxy-2-Oxoethyl)-19-[6-Amino-4-Hydroxy-2-(3,4,5-Trihydroxyoxan-2-Yl)Oxypentadecyl]-12-[Hydroxy-(4-Hydroxyphenyl)Methyl]-6,15-Bis(Hydroxymethyl)-2,5,8,11,14,17,21,24-Octaoxo-1,4,7,10,13,16,20,23-Octazacycloheptacos-9-Yl]Acetic Acid
• Synonyms: 2-[25-Amino-22-(2-Amino-1-Hydroxy-2-Oxo-Ethyl)-19-[6-Amino-4-Hydroxy-2-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-Pentadecyl]-12-[Hydroxy-(4-Hydroxyphenyl)Methyl]-6,15-Bis(Hydroxymethyl)-2,5,8,11,14,17,21,24-Octaoxo-1,4,7,10,13,16,20,23-Octazacycloheptacos-9-Yl]Acetic Acid; 2-[25-Amino-22-(2-Amino-1-Hydroxy-2-Oxoethyl)-19-[6-Amino-4-Hydroxy-2-[(3,4,5-Trihydroxy-2-Tetrahydropyranyl)Oxy]Pentadecyl]-12-[Hydroxy-(4-Hydroxyphenyl)Methyl]-6,15-Bis(Hydroxymethyl)-2,5,8,11,14,17,21,24-Octaoxo-1,4,7,10,13,16,20,23-Octazacycloheptacos-9-Yl]Acetic Acid; 2-[25-Amino-22-(2-Amino-1-Hydroxy-2-Keto-Ethyl)-19-[6-Amino-4-Hydroxy-2-(3,4,5-Trihydroxytetrahydropyran-2-Yl)Oxy-Pentadecyl]-12-[Hydroxy-(4-Hydroxyphenyl)Methyl]-2,5,8,11,14,17,21,24-Octaketo-6,15-Dimethylol-1,4,7,10,13,16,20,23-Octazacycloheptacos-9-Yl]Acetic Acid
• Molecular Formula: C₅₂H₈₅N₁₁O₂₂
• Molecular Weight: 1216.30
• CAS Registry Number: 157184-36-6
• SMILES: C3=C(C(C1NC(C(NC(CC(NC(C(NC(C(N)CCNC(CNC(C(NC(=O)C(NC1=O)CC(=O)O)CO)=O)=O)=O)C(C(=O)N)O)=O)CC(OC2C(C(O)C(CO2)O)O)CC(CC(N)CCCCCCCCC)O)=O)CO)=O)O)C=CC(=C3)O
• InChI: 1S/C52H85N11O22/c1-2-3-4-5-6-7-8-9-26(53)16-29(67)19-30(85-52-44(76)42(74)35(68)24-84-52)17-27-18-36(69)59-34(23-65)49(81)63-39(41(73)25-10-12-28(66)13-11-25)51(83)60-32(20-38(71)72)48(80)61-33(22-64)47(79)57-21-37(70)56-15-14-31(54)46(78)62-40(50(82)58-27)43(75)45(55)77/h10-13,26-27,29-35,39-44,52,64-68,73-76H,2-9,14-24,53-54H2,1H3,(H2,55,77)(H,56,70)(H,57,79)(H,58,82)(H,59,69)(H,60,83)(H,61,80)(H,62,78)(H,63,81)(H,71,72)
• InChIKey: AHNDNUVPXFPPIH-UHFFFAOYSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 1699.786°C at 760 mmHg (Cal.)
• Flash point: 981.795°C (Cal.)