Penicillin-Streptomycin
[CAS# 8025-06-7]

Identification

• Name: Penicillin-Streptomycin
• Synonyms: 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-Tetrahydropyran-2-Yl]Oxy-4-Formyl-4-Hydroxy-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 2-[(1S,2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Methylamino-2-Tetrahydropyranyl]Oxy]-4-Formyl-4-Hydroxy-5-Methyl-2-Tetrahydrofuranyl]Oxy]-5-Guanidino-3,4,6-Trihydroxycyclohexyl]Guanidine; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-Dihydroxy-3-Methylamino-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4-Formyl-4-Hydroxy-5-Methyl-Tetrahydrofuran-2-Yl]Oxy-5-Guanidino-3,4,6-Trihydroxy-Cyclohexyl]Guanidine; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₃₇H₅₇N₉O₁₆S
• Molecular Weight: 915.97
• CAS Registry Number: 8025-06-7
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(O)=O)(C)C.[C@@H]6(O[C@@H]4O[C@H]([C@@](O)([C@H]4O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@@H]5NC)CO)C=O)C)[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]6O
• InChI: 1S/C21H39N7O12.C16H18N2O4S/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;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/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;11-,12+,14-/m01/s1
• InChIKey: YVSHCKXUFJPXCX-ZWOKJYBLSA-N

Properties

• Boiling point: 948.2°C at 760 mmHg (Cal.)
• Flash point: 527.3°C (Cal.)