Cas no 108351-52-6 (2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI))
108351-52-6 structure
Product Name:2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI)
CAS No:108351-52-6
MF:C29H48N4O6
MW:548.714628219604
CID:159856
PubChem ID:6439167
Update Time:2025-04-19
2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI)
- (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]tetradeca-2,4-dienamide
- 2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]a
- glidobactin C
- (2E,4E)-N-[(1S,2R)-2-hydroxy-1-{[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]tetradeca-2,4-dienamide
- 2,4-Tetradecadienamide, N-(2-hydroxy-1-(((10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)amino)carbonyl)propyl)-, (5S-(3E,5R*,8R*(1R*(2E,4E),2S*),10R*))-
- BU-2867TC
- Antibioti BU-2867TC
- Antibiotic BU-2867TC
- (2E,4E)-N-[(1S,2R)-2-Hydroxy-1-[[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododeca-3-en]-8-yl]amino]carbonyl]propyl]-2,4-tetradecadienamide
- 108351-52-6
- CHEBI:222001
- BU 2867TC
- Antibiotic BU 2867TC
-
- Inchi: 1S/C29H48N4O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(37)33-27(22(3)34)29(39)32-24-20-23(35)18-19-30-25(36)17-16-21(2)31-28(24)38/h12-17,21-24,27,34-35H,4-11,18-20H2,1-3H3,(H,30,36)(H,31,38)(H,32,39)(H,33,37)/b13-12+,15-14+,17-16-/t21-,22+,23-,24-,27-/m0/s1
- InChI Key: UHXDSKADPILIPT-OHIHYABUSA-N
- SMILES: O[C@H]1CCNC(C=C[C@H](C)NC([C@H](C1)NC([C@H]([C@@H](C)O)NC(/C=C/C=C/CCCCCCCCC)=O)=O)=O)=O |c:6|
Computed Properties
- Exact Mass: 548.357385
- Monoisotopic Mass: 548.357385
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 39
- Rotatable Bond Count: 14
- Complexity: 857
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 60
- XLogP3: 4.2
- Topological Polar Surface Area: 157
Experimental Properties
- Density: 1.14
- Boiling Point: 898.2°Cat760mmHg
- Flash Point: 497°C
- Refractive Index: 1.547
2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI) Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
108351-52-6 (2,4-Tetradecadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI)) Related Products
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