Cas no 55715-66-7 (Gentamicin A2)
Gentamicin A2 structure
Product Name:Gentamicin A2
CAS No:55715-66-7
MF:C17H33N3O11
MW:455.457425832748
CID:876009
PubChem ID:86489
Update Time:2024-02-29
Gentamicin A2 Chemical and Physical Properties
Names and Identifiers
-
- 4,6-diamino-2-hydroxy-3-(pentopyranosyloxy)cyclohexyl 2-amino-2-deoxyhexopyranoside
- gentamicin A2
- C17701
- Q27155220
- DTXSID60971085
- 6-O-A''-Xylopyranosylparomamine
- D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(alpha-D-xylopyranosyl-(1-6))-2-deoxy-
- 55715-66-7
- Gentamicin A2
-
- Inchi： 1S/C17H33N3O11/c18-4-1-5(19)15(31-17-12(26)9(23)6(22)3-28-17)13(27)14(4)30-16-8(20)11(25)10(24)7(2-21)29-16/h4-17,21-27H,1-3,18-20H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13-,14+,15-,16+,17+/m0/s1
- InChI Key： BIVUTZYWJNTGDG-GTMVCPGISA-N
- SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)N)[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O)O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)N)N
Computed Properties
- Exact Mass: 455.212
- Monoisotopic Mass: 455.212
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 592
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 14
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 257
- XLogP3: -6.6
Experimental Properties
- Density: 1.64
- Boiling Point: 762.6°C at 760 mmHg
- Flash Point: 415°C
- Refractive Index: 1.664
Gentamicin A2 Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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