(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(2-hydroxyethyl)-3-[(methylamino)methyl]oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine

• ChemBase ID: 154636
• Molecular Formular: C39H61N9O16S
• Molecular Mass: 944.01734
• Monoisotopic Mass: 943.39569792
• SMILES: C[C@H]1C([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)NC(=N)N)O)NC(=N)N)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CCO)O)O)CNC)(C=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1)C(=O)O)C
• Canonical SMILES: O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc1ccccc1.CNC[C@@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)CCO)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]2NC(=N)N)O)NC(=N)N)O[C@H](C1(O)C=O)C
• InChI: InChI=1S/C23H43N7O12.C16H18N2O4S/c1-7-23(38,6-32)18(42-19-8(5-28-2)12(33)13(34)9(40-19)3-4-31)20(39-7)41-17-11(30-22(26)27)14(35)10(29-21(24)25)15(36)16(17)37;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h6-20,28,31,33-38H,3-5H2,1-2H3,(H4,24,25,29)(H4,26,27,30);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t7-,8-,9-,10+,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,23?;11-,12+,14-/m01/s1
• InChIKey: KMOOCZWLFBSQCW-WZVSWZHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(2-hydroxyethyl)-3-[(methylamino)methyl]oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine
• IUPAC Traditional name: 1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(2-hydroxyethyl)-3-[(methylamino)methyl]oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine; penicillin G
• Synonyms: Pen-Strep; Penicillin-Streptomycin; 青链霉素

Database IDs

• PubChem SID: 162248774
• PubChem CID: 71311919

CALCULATED PROPERTIES

• Acid pKa: 10.887826
• H Acceptors: 19
• H Donor: 14
• LogD (pH = 5.5): -14.762489
• LogD (pH = 7.4): -13.478937
• Log P: -7.5525146
• Molar Refractivity: 159.2233 cm^3
• Polarizability: 56.122112 Å^3
• Polar Surface Area: 331.43 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-42/43
• Safety Statements: 22-36/37-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317
• GHS Precautionary statements: P280
• Storage Temperature: -20°C

Product Information

• Concentration: 100 ×
• Suitability: suitable for cell culture
• Impurities: endotoxin, tested
• Sterility: sterile-filtered
• Shipped in: dry ice
• Product Line: BioReagent

DETAILS

Sigma Aldrich - P0781

Application
Penicillin-Streptomycin is used to supplement cell culture media to control bacterial contamination. Recommended for use in cell culture applications at 10 ml/L.
Penicillin-Streptomycin is used to supplement cell culture media to control bacterial contamination.
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information