Paromomycin sulfateProduct ingredient for Paromomycin

Name
Paromomycin sulfate
Drug Entry
Paromomycin

An oligosaccharide antibiotic produced by various streptomyces. [PubChem]

Accession Number
DBSALT000265
Structure
Synonyms
Paromomycin sulfate
UNII
845NU6GJPS
CAS Number
1263-89-4
Weight
Average: 713.707
Monoisotopic: 713.263680415
Chemical Formula
C23H47N5O18S
InChI Key
LJRDOKAZOAKLDU-UDXJMMFXSA-N
InChI
InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(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
(2R,3S,4R,5R,6S)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)oxane-3,4-diol; sulfuric acid
SMILES
OS(O)(=O)=O.[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@@]2([H])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O[C@@]2([H])O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O
PubChem Compound
441375
ChemSpider
390117
ChEMBL
CHEMBL2206196
Wikipedia
Paromomycin
Predicted Properties
PropertyValueSource
Water Solubility79.7 mg/mLALOGPS
logP-2.9ALOGPS
logP-8.3Chemaxon
logS-0.89ALOGPS
pKa (Strongest Acidic)12.23Chemaxon
pKa (Strongest Basic)9.68Chemaxon
Physiological Charge5Chemaxon
Hydrogen Acceptor Count19Chemaxon
Hydrogen Donor Count13Chemaxon
Polar Surface Area347.32 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity134.24 m3·mol-1Chemaxon
Polarizability59.44 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon