Basic information
- CAS
25876-11-3- Standard SMILES
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O- InChIKey
XUFIWSHGXVLULG-IDLVJFIQSA-N- Molecular formula
- C20H41N5O7
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.30059866
Overview
Gentamicin C2 is one of the major components of the gentamicin complex. Gentamicin C2 has a methyl group at the 6' position of the 2-amino-hexose ring, along with a free amine.
Names & identifiers
- Preferred name
- Gentamicin C2
- IUPAC
- (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- English name
- (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-5-methyl-4-methylamino-oxane-3,5-diol
- Molecular formula
- C20H41N5O7
- Molecular weight
- 463.57
Names & synonyms
Gentamicin C225876-11-33P99H114B8DTXSID9023093(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-aminoethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diolCHEBI:28292(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-((1R)-1-aminoethyl)tetrahydropyran-2-yl)oxy-2-hydroxy-cyclohexoxy)-5-methyl-4-(methylamino)tetrahydropyran-3,5-diolRefChem:142892DTXCID501764434Gentamycin C2AC1L2I01UNII-3P99H114B8
Show more names
Gentamicin C2/C2aGentamicin C2 sulfateGentamicin Impurity 2Gentamicin Impurity 12Gentamicin Solution C2,10ppmGentamycin Sulfate Impurity 9Gentamicin C2 Pentaacetate SaltGentamycin Sulfate Impurity 9（Gentamicin C2）
GENTAMICIN C2 [MI]D-Streptamine, O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-alpha-D-ribo-heptopyranosyl-(1-4))-2-deoxy-orb3024357CHEMBL1254452SCHEMBL1927030125876-11-3(free base)GLXC-10479AG46330
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 621
Experimental & physicochemical properties
Collision Cross Section215.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
Physicochemical properties
- Melting point
- 104 · 104-107°C
- alpha
- 25 · D25 +160°
- Boiling point
- 676.3 · 676.3±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- pka
- 13.29 · 13.29±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 P99H114B8 · 3P99H114B8
Chemistry & industry
Applications
UsesAntibacterial. A mixture of Gentamicin C2 and Gentamycin C2a.
UsesAntibiotic complex consists of three closely related components, gentamicins C1, C2, C1a, and also Gentamicin A which differs from the other members of the complex but is similar to Kanamycin C. Antibacterial.
Suppliers24 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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