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
Hs Code.:
Wikidata:Q105110614
Mol file:152406-36-5.mol

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

Synonyms:arthrofactin

Suppliers and Price 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

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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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

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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

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