Cas no 72908-95-3 (3',4'-Dideoxyamikacin)
3',4'-Dideoxyamikacin structure
Product Name:3',4'-Dideoxyamikacin
CAS No:72908-95-3
MF:C22H43N5O11
MW:553.603726625443
CID:563703
Update Time:2023-08-02
3',4'-Dideoxyamikacin Chemical and Physical Properties
Names and Identifiers
-
- 3',4'-dideoxyamikacin
- 4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)- (9CI)
- D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-3,4,6-trideoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
- 4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-3,4,6-trideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid
- 3',4'-Dideoxyamikacin
-
- Inchi: 1S/C22H43N5O11/c23-4-3-11(29)20(34)27-10-5-9(25)18(37-21-12(30)2-1-8(6-24)35-21)17(33)19(10)38-22-16(32)14(26)15(31)13(7-28)36-22/h8-19,21-22,28-33H,1-7,23-26H2,(H,27,34)
- InChI Key: DJLZCFKPWYTEIQ-UHFFFAOYSA-N
- SMILES: O(C1C(C(C(C(CO)O1)O)N)O)C1C(C(C(CC1NC(C(CCN)O)=O)N)OC1C(CCC(CN)O1)O)O
Computed Properties
- Exact Mass: 553.296
- Monoisotopic Mass: 553.296
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 38
- Rotatable Bond Count: 10
- Complexity: 757
- 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
- Topological Polar Surface Area: 292
Experimental Properties
- Density: 1.5
- Boiling Point: 923.8°C at 760 mmHg
- Flash Point: 512.5°C
- Refractive Index: 1.635
3',4'-Dideoxyamikacin Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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