[6R-(6alpha,7beta)]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide (CAS 81589-25-5) — formula C18H18N6O5S2, molecular weight 462.5; category organic chemicals.
| CAS Number | 81589-25-5 |
|---|---|
| Molecular Formula | C18H18N6O5S2 |
| Molecular Weight | 462.5 |
| LogP | -0.9 |
| Category | Organic Chemicals |
[6R-(6alpha,7beta)]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide is a carbon-based organic compound with CAS registry number 81589-25-5 and molecular formula C18H18N6O5S2 (molecular weight 462.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81589-25-5
Its molecular formula C18H18N6O5S2 comprises 18 C, 18 H, 6 N, 5 O, 2 S atoms.
Also known as: [6R-(6alpha,7beta)]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide · [6R-(6α,7β)]-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-7-(苯基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸5-氧化物
Category: organic chemicals
The CAS registry number of [6R-(6alpha,7beta)]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide is 81589-25-5.
Molecular formula C18H18N6O5S2, molecular weight 462.5.
It is also registered under: [6R-(6alpha,7beta)]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide, [6R-(6α,7β)]-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-7-(苯基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸5-氧化物.
Category: Organic Chemicals.
Independent reference data for [6R-(6alpha,7beta)]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide (CAS 81589-25-5), compiled from public chemistry databases.
| CAS 号 | 81589-25-5 |
|---|---|
| PubChem CID | 44147110 |
| 分子式 | C18H18N6O5S2 |
| IUPAC 名称 | (6R,7R)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-5,8-dioxo-7-[(2-phenylacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Weight | 462.5 |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 462.07801004 |
| Monoisotopic Mass | 462.07801004 |
| Topological Polar Surface Area | 192 |
| Heavy Atom Count | 31 |
EINECS 279-784-3; 81589-25-5; DTXSID401002067
[6R-(6α,7β)]-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-7-(苯基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸5-氧化物 · CAS 81589-25-5 · C18H18N6O5S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [6R-(6α,7β)]-3-[[(1-甲基-1H-四唑-5-基)硫基]甲基]-8-氧代-7-(苯基乙酰氨基)-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸5-氧化物