Cas no 1404-29-1 (Polymyxin D)
Polymyxin D structure
Product Name:Polymyxin D
CAS No:1404-29-1
MF:C50H93N15O15
MW:1144.36493182182
CID:145956
PubChem ID:202290
Update Time:2025-04-19
Polymyxin D Chemical and Physical Properties
Names and Identifiers
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- Polymyxin D
- 1404-29-1
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- Inchi: 1S/C50H93N15O15/c1-8-26(4)11-9-10-12-37(70)56-30(13-18-51)44(74)64-40(29(7)69)50(80)62-36(24-66)47(77)59-34-17-22-55-48(78)38(27(5)67)63-45(75)33(16-21-54)58-41(71)32(15-20-53)60-49(79)39(28(6)68)65-46(76)35(23-25(2)3)61-42(72)31(14-19-52)57-43(34)73/h25-36,38-40,66-69H,8-24,51-54H2,1-7H3,(H,55,78)(H,56,70)(H,57,73)(H,58,71)(H,59,77)(H,60,79)(H,61,72)(H,62,80)(H,63,75)(H,64,74)(H,65,76)
- InChI Key: ZVVRUVGEGUZQHF-UHFFFAOYSA-N
- SMILES: O=C1C(CC(C)C)NC(C(CCN)NC(C(CCNC(C(C(C)O)NC(C(CCN)NC(C(CCN)NC(C(C(C)O)N1)=O)=O)=O)=O)NC(C(CO)NC(C(C(C)O)NC(C(CCN)NC(CCCCC(C)CC)=O)=O)=O)=O)=O)=O
Computed Properties
- Exact Mass: 1143.698
- Monoisotopic Mass: 1143.698
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 19
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 80
- Rotatable Bond Count: 27
- Complexity: 2040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 14
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.7
- Topological Polar Surface Area: 505?2
Experimental Properties
- Density: 1.3
- Boiling Point: 1581.3°C at 760 mmHg
- Flash Point: 910.2°C
- Refractive Index: 1.584
Polymyxin D Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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