Gentamicin c1a sulfateProduct ingredient for Gentamicin C1a
- Name
- Gentamicin c1a sulfate
- Drug Entry
- Gentamicin C1a
- Accession Number
- DBSALT002339
- Structure
Structure for Gentamicin c1a sulfate (DBSALT002339)
- Synonyms
- Not Available
- UNII
- S7K05PO157
- CAS Number
- 37713-04-5
- Weight
- Average: 547.62
Monoisotopic: 547.252328334 - Chemical Formula
- C19H41N5O11S
- InChI Key
- HNCAOLPMSASREN-UCMBPTNBSA-N
- InChI
- InChI=1S/C19H39N5O7.H2O4S/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;1-5(2,3)4/h8-18,24-27H,3-7,20-23H2,1-2H3;(H2,1,2,3,4)/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-;/m0./s1
- IUPAC Name
- (2R,3R,4R,5R)-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol; sulfuric acid
- SMILES
- OS(O)(=O)=O.CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
- External Links
- ChemSpider
- 19970299
- ChEMBL
- CHEMBL1087542
- Predicted Properties
Property Value Source Water Solubility 20.5 mg/mL ALOGPS logP -2.2 ALOGPS logP -4 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 12.55 Chemaxon pKa (Strongest Basic) 9.9 Chemaxon Physiological Charge 5 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 213.72 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 108.83 m3·mol-1 Chemaxon Polarizability 47.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon