Cas no 77987-52-1 (Apc kanamycin A)
Apc kanamycin A structure
Product Name:Apc kanamycin A
CAS No:77987-52-1
MF:C22H43N5O13
MW:585.602526903152
CID:565573
Update Time:2023-08-02
Apc kanamycin A Chemical and Physical Properties
Names and Identifiers
-
- 1-N-(3-aminopropoxycarbonyl)kanamycin A
- 4)]-N1-[(3-aminopro
- 4)]-N1-[(3-aminopropoxy)carbonyl]-2-deoxy- (9CI)
- Apc kanamycin A
- 3-Aminopropyl hydrogen {5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}carbonimidate
- D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-N1-((3-aminopropoxy)carbonyl)-2-deoxy-
-
- Inchi： 1S/C22H43N5O13/c23-2-1-3-36-22(35)27-8-4-7(25)18(39-21-16(33)15(32)13(30)9(5-24)37-21)17(34)19(8)40-20-14(31)11(26)12(29)10(6-28)38-20/h7-21,28-34H,1-6,23-26H2,(H,27,35)/t7-,8+,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,20+,21-/m0/s1
- InChI Key： ROQXNMABMHKEAF-CSZWFTGISA-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(=O)OCCCN)N)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CN)O1)O)O)O)O
Computed Properties
- Exact Mass: 585.285736
- Monoisotopic Mass: 585.285736
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 12
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 40
- Rotatable Bond Count: 11
- Complexity: 804
- 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: 321
Experimental Properties
- Density: 1.57
- Boiling Point: 903.8°C at 760 mmHg
- Flash Point: 500.4°C
- Refractive Index: 1.646
Apc kanamycin A Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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