Cas no 71398-14-6 (Antibiotic BBK 311)
Antibiotic BBK 311 structure
Product Name:Antibiotic BBK 311
CAS No:71398-14-6
MF:C23H45N5O12
MW:583.629707098007
CID:570289
Update Time:2023-08-02
Antibiotic BBK 311 Chemical and Physical Properties
Names and Identifiers
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- 4'-deoxy-6'-N-methylamikacin
- 4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-(9CI)
- Antibiotic BBK 311
- D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(4,6-dideoxy-6-(methylamino)-alpha-D-xylo-hexopyranosyl-(1-4)-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
- 4-Amino-N-(5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-{[4,6-dideoxy-6-(methylamino)hexopyranosyl]oxy}-3-hydroxycyclohexyl)-2-hydroxybutanimidic acid
-
- Inchi： 1S/C23H45N5O12/c1-27-6-8-4-12(31)15(32)22(37-8)39-19-9(25)5-10(28-21(36)11(30)2-3-24)20(18(19)35)40-23-17(34)14(26)16(33)13(7-29)38-23/h8-20,22-23,27,29-35H,2-7,24-26H2,1H3,(H,28,36)/t8-,9-,10+,11-,12-,13+,14-,15+,16+,17+,18-,19+,20-,22+,23+/m0/s1
- InChI Key： NFQSTZWJVAZQFI-CEDZBATRSA-N
- SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)N)O)[C@@H]1[C@H]([C@@H]([C@H](C[C@H]1NC([C@H](CCN)O)=O)N)O[C@@H]1[C@@H]([C@H](C[C@@H](CNC)O1)O)O)O
Computed Properties
- Exact Mass: 583.306472
- Monoisotopic Mass: 583.306472
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 40
- Rotatable Bond Count: 11
- Complexity: 803
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 15
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 298
Experimental Properties
- Density: 1.51
- Boiling Point: 941.4°C at 760 mmHg
- Flash Point: 523.1°C
- Refractive Index: 1.634
Antibiotic BBK 311 Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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