Framycetin sulfateProduct ingredient for Framycetin

Name
Framycetin sulfate
Drug Entry
Framycetin

A component of neomycin that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed)

Accession Number
DBSALT000995
Structure
Synonyms
Framycetin sulphate / Neomycin B trisulfate
UNII
Y3720KZ4TQ
CAS Number
4146-30-9
Weight
Average: 908.87
Monoisotopic: 908.21442472
Chemical Formula
C23H52N6O25S3
InChI Key
KWBUARAINLGYMG-JGMIRXPNSA-N
InChI
InChI=1S/C23H46N6O13.3H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;3*1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;3*(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;;;/m1.../s1
IUPAC Name
(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol; tris(sulfuric acid)
SMILES
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
ChemSpider
24603474
ChEMBL
CHEMBL3188205
Predicted Properties
PropertyValueSource
Water Solubility64.7 mg/mLALOGPS
logP-2.8ALOGPS
logP-8.4Chemaxon
logS-0.98ALOGPS
pKa (Strongest Acidic)12.29Chemaxon
pKa (Strongest Basic)9.73Chemaxon
Physiological Charge6Chemaxon
Hydrogen Acceptor Count19Chemaxon
Hydrogen Donor Count13Chemaxon
Polar Surface Area353.11 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity135.9 m3·mol-1Chemaxon
Polarizability60.42 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon