N-{2-hydroxy-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride

• ChemBase ID: 105162
• Molecular Formular: C18H35ClN2O6S
• Molecular Mass: 442.9983
• Monoisotopic Mass: 442.19043553
• SMILES: Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C1OC(SC)C(O)C(O)C1O
• Canonical SMILES: CCCC1CN(C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(O)C)C.Cl
• InChI: InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H
• InChIKey: POUMFISTNHIPTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-hydroxy-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride
• IUPAC Traditional name: lincomycin hydrochloride hydrochloride
• Synonyms: U-10149A; LINCOMYCIN HYDROCHLORIDE

Database IDs

• CAS Number: 859-18-7
• EC Number: 212-726-7
• PubChem SID: 162092260
• PubChem CID: 21872023

CALCULATED PROPERTIES

• Acid pKa: 12.365502
• H Acceptors: 7
• H Donor: 5
• LogD (pH = 5.5): -2.7498562
• LogD (pH = 7.4): -0.99001026
• Log P: -0.3168542
• Molar Refractivity: 102.6663 cm^3
• Polarizability: 41.491238 Å^3
• Polar Surface Area: 122.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C
• RTECS: RH6315000

Product Information

• Purity: >82%

DETAILS

MP Biomedicals - 02158948

(U-10149A) Purity: >82% Hydrochloride Active against gram-positive bacteria. Binds to the 50S subunit of bacterial ribosomes and suppresses protein synthesis.