Cas no 525-91-7 (penicillin X)
penicillin X structure
Product Name:penicillin X
penicillin X Chemical and Physical Properties
Names and Identifiers
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- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
- (2S,5R,6R)-6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- penicillin X
- (2S,5R,6R)-6-{[(4-Hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
-
- Inchi： InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)
- InChI Key： AZCVBVRUYHKWHU-UHFFFAOYSA-N
- SMILES： CC1(C)SC2C(NC(=O)Cc3ccc(O)cc3)C(=O)N2C1C(O)=O
Computed Properties
- Exact Mass: 350.09374
- Monoisotopic Mass: 350.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 559
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 132?2
Experimental Properties
- Density: 1.5
- Boiling Point: 729.6°Cat760mmHg
- Flash Point: 395°C
- Refractive Index: 1.681
- PSA: 106.94
penicillin X Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P101170-10mg |
Penicillin X |
525-91-7 | 10mg |
$155.00 | 2023-05-17 | ||
| TRC | P101170-50mg |
Penicillin X |
525-91-7 | 50mg |
$718.00 | 2023-05-17 | ||
| TRC | P101170-100mg |
Penicillin X |
525-91-7 | 100mg |
$1183.00 | 2023-05-17 |
penicillin X Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
525-91-7 (penicillin X) Related Products
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- 113-98-4(Penicillin G potassium)
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