[2S-(2alpha,4alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide (CAS 52248-38-1) — formula C16H18N2O5S, molecular weight 350.4; category organic chemicals.
[2S-(2alpha,4alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide is a carbon-based organic compound with CAS registry number 52248-38-1 and molecular formula C16H18N2O5S (molecular weight 350.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52248-38-1
Its molecular formula C16H18N2O5S comprises 16 C, 18 H, 2 N, 5 O, 1 S atoms.
Also known as: [2S-(2alpha,4alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide · [2S-(2α,4α,5α,6β)]-3,3-二甲基-7-氧代-6-(苯基乙酰氨基)-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸4-氧化物
Category: organic chemicals
The CAS registry number of [2S-(2alpha,4alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide is 52248-38-1.
Molecular formula C16H18N2O5S, molecular weight 350.4.
It is also registered under: [2S-(2alpha,4alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide, [2S-(2α,4α,5α,6β)]-3,3-二甲基-7-氧代-6-(苯基乙酰氨基)-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸4-氧化物.
Category: Organic Chemicals.
Public-database records for [2S-(2alpha,4alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide (CAS 52248-38-1), reproduced here for independent cross-checking.
| CAS 号 | 52248-38-1 |
|---|---|
| PubChem CID | 107496 |
| 分子式 | C16H18N2O5S |
| IUPAC 名称 | (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4λ4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| UNII（FDA） | NS00083599 |
Penicillin G sulfoxide; 4052-54-4; DTXSID801105936; penicillin G-sulfoxide; RefChem:912814; DTXCID201537602; 223-757-0; Benzylpenicillin R-sulfoxide; Penicillin sulfoxide; Penicillin Impurity 8; Benzylpenicillin S-sulfoxide; EINECS 223-757-0; EINECS 251-828-6; EINECS 257-786-5; 52248-38-1; 6beta-Phenylacetamidopenicillanic acid 1beta-oxide
| 分子量 | 350.4 |
|---|---|
| XLogP3 | 0.7 |
| 氢键供体数 | 2 |
| 氢键受体数 | 6 |
| 可旋转键数 | 4 |
| 精确质量 | 350.09364285 |
| 单同位素质量 | 350.09364285 |
| 拓扑极性表面积 | 123 |
| 重原子数 | 24 |
| 形式电荷 | 0 |
[2S-(2α,4α,5α,6β)]-3,3-二甲基-7-氧代-6-(苯基乙酰氨基)-4-硫杂-1-氮杂双环[3.2.0]庚烷-2-甲酸4-氧化物 · CAS 52248-38-1 · C16H18N2O5S. UNII NS00083599.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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