2-[(3S,6S,9S,12R,15S,18R,21R,24R,30R,33R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-37-heptyl-27-[(1S)-1-hydroxyethyl]-12,18-bis(hydroxymethyl)-15,21,24,33-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecazacycloheptatriacont-30-yl]acetic acid

Base Information

• Chemical Name: 2-[(3S,6S,9S,12R,15S,18R,21R,24R,30R,33R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-37-heptyl-27-[(1S)-1-hydroxyethyl]-12,18-bis(hydroxymethyl)-15,21,24,33-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecazacycloheptatriacont-30-yl]acetic acid
• CAS No.: 152406-36-5
• Molecular Formula: C64H111 N11 O20
• Molecular Weight: 1354.63
• Wikidata: Q105110614
• Mol file: 152406-36-5.mol

Synonyms:arthrofactin

Chemical Property of 2-[(3S,6S,9S,12R,15S,18R,21R,24R,30R,33R)-6,9-bis[(2S)-butan-2-yl]-3-(carboxymethyl)-37-heptyl-27-[(1S)-1-hydroxyethyl]-12,18-bis(hydroxymethyl)-15,21,24,33-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34-undecazacycloheptatriacont-30-yl]acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1616.2°Cat760mmHg
• Flash Point: 931.2°C
• Density: 1.094g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 25
• Exact Mass: 1353.80068497
• Heavy Atom Count: 95
• Complexity: 2570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(=O)O)C(C)CC)C(C)CC)CO)CC(C)C)CO)CC(C)C)CC(C)C)C(C)O)CC(=O)O)CC(C)C
• Isomeric SMILES: CCCCCCCC1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC)CO)CC(C)C)CO)CC(C)C)CC(C)C)[C@H](C)O)CC(=O)O)CC(C)C