4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide (CAS 60771-27-9) — formula C23H21N3O8S, molecular weight 499.5; category organic chemicals.
| CAS Number | 60771-27-9 |
|---|---|
| Molecular Formula | C23H21N3O8S |
| Molecular Weight | 499.5 |
| LogP | 1.2 |
| Category | Organic Chemicals |
4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide is a carbon-based organic compound with CAS registry number 60771-27-9 and molecular formula C23H21N3O8S (molecular weight 499.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 60771-27-9
Its molecular formula C23H21N3O8S comprises 23 C, 21 H, 3 N, 8 O, 1 S atoms.
Also known as: 4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide · [2R-(2alpha,5beta,6alpha,7beta)]-3-亚甲基-8-氧代-7-(苯氧基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛烷-2-甲酸 4-硝基苄酯 5-氧化物
Category: organic chemicals
The CAS registry number of 4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide is 60771-27-9.
Molecular formula C23H21N3O8S, molecular weight 499.5.
It is also registered under: 4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide, [2R-(2alpha,5beta,6alpha,7beta)]-3-亚甲基-8-氧代-7-(苯氧基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛烷-2-甲酸 4-硝基苄酯 5-氧化物.
Category: Organic Chemicals.
Independent reference data for 4-Nitrobenzyl [2R-(2alpha,5beta,6alpha,7beta)]-3-methylene-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate 5-oxide (CAS 60771-27-9), compiled from public chemistry databases.
| CAS 号 | 60771-27-9 |
|---|---|
| PubChem CID | 108511 |
| 分子式 | C23H21N3O8S |
| IUPAC 名称 | (4-nitrophenyl)methyl 3-methylidene-5,8-dioxo-7-[(2-phenoxyacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate |
| UNII（FDA） | NS00121833 |
| Molecular Weight | 499.5 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 499.10493581 |
| Monoisotopic Mass | 499.10493581 |
| Topological Polar Surface Area | 167 |
| Heavy Atom Count | 35 |
60771-27-9; EINECS 262-423-9; Oprea1_078903; DTXSID90976245; STK384444; AKOS000715170; AKOS022061638; NS00121833; ST50028325; AE-641/40197999
[2R-(2alpha,5beta,6alpha,7beta)]-3-亚甲基-8-氧代-7-(苯氧基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛烷-2-甲酸 4-硝基苄酯 5-氧化物 · CAS 60771-27-9 · C23H21N3O8S. UNII NS00121833.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [2R-(2alpha,5beta,6alpha,7beta)]-3-亚甲基-8-氧代-7-(苯氧基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛烷-2-甲酸 4-硝基苄酯 5-氧化物