Cas no 87092-83-9 (chimeramycin B)
chimeramycin B structure
Product Name:chimeramycin B
CAS No:87092-83-9
MF:C45H78N2O13
MW:855.10642g/mol
CID:722987
PubChem ID:6450491
Update Time:2024-03-01
chimeramycin B Chemical and Physical Properties
Names and Identifiers
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- Tylosin,23-de[(6-deoxy-2,3-di-O-methyl-b-D-allopyranosyl)oxy]-9-deoxo-9-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-,(9R)- (9CI)
- chimeramycin B
- (9R)-23-De[(6-deoxy-2-O,3-O-dimethyl-β-D-allopyranosyl)oxy]-9-deoxo-9-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]tyrosine [antibiotic]
- Tylosin, 23-de((6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy)-9-deoxo-9-((5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-, (9R(2R,5S,6R))-
- 87092-83-9
-
- Inchi： 1S/C46H80N2O13/c1-14-35-26(3)21-25(2)15-17-36(59-38-18-16-33(47(10)11)29(6)55-38)27(4)22-32(19-20-49)42(28(5)34(50)23-37(51)58-35)61-45-41(52)40(48(12)13)43(30(7)57-45)60-39-24-46(9,54)44(53)31(8)56-39/h15,17,20-21,26-36,38-45,50,52-54H,14,16,18-19,22-24H2,1-13H3/b17-15-,25-21-
- InChI Key： WPKBMQYWWGHYSV-BSXKEUNBSA-N
- SMILES： O(C1OC(C)C(O)C(O)(C)C1)C1C(OC(OC2C(C(CC(OC(C(C)C=C(C)C=CC(OC3CCC(N(C)C)C(C)O3)C(C)CC2CC=O)CC)=O)O)C)C(O)C1N(C)C)C |c:29,t:26|
Computed Properties
- Exact Mass: 854.550391
- Monoisotopic Mass: 854.550391
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 60
- Rotatable Bond Count: 10
- Complexity: 1430
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 19
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 186
- XLogP3: 3.5
Experimental Properties
- Density: 1.18
- Boiling Point: 907.6°C at 760 mmHg
- Flash Point: 502.7°C
- Refractive Index: 1.546
chimeramycin B Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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