(2S,E)-1-[5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranulonoyl]-3-ethylidene-2-azetidinecarboxylic acid (CAS 22886-46-0) — formula C22H30N6O13, molecular weight 586.5; category organic chemicals.
| CAS Number | 22886-46-0 |
|---|---|
| Molecular Formula | C22H30N6O13 |
| Molecular Weight | 586.5 |
| LogP | -7.5 |
| Category | Organic Chemicals |
(2S,E)-1-[5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranulonoyl]-3-ethylidene-2-azetidinecarboxylic acid is a carbon-based organic compound with CAS registry number 22886-46-0 and molecular formula C22H30N6O13 (molecular weight 586.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 22886-46-0
Its molecular formula C22H30N6O13 comprises 22 C, 30 H, 6 N, 13 O atoms.
Also known as: (2S,E)-1-[5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranulonoyl]-3-ethylidene-2-azetidinecarboxylic acid · (2S,E)-1-[5-[(2-氨基-5-O-氨基羰基-2-脱氧-L-木糖酰基)氨基]-1,5-二脱氧-1-(1,2,3,4-四氢-2,4-二氧嘧啶-1-基)-β-D-别呋喃酰基]-3-亚乙基-2-氮杂环丁烷甲酸
Category: organic chemicals
The CAS registry number of (2S,E)-1-[5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranulonoyl]-3-ethylidene-2-azetidinecarboxylic acid is 22886-46-0.
Molecular formula C22H30N6O13, molecular weight 586.5.
It is also registered under: (2S,E)-1-[5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranulonoyl]-3-ethylidene-2-azetidinecarboxylic acid, (2S,E)-1-[5-[(2-氨基-5-O-氨基羰基-2-脱氧-L-木糖酰基)氨基]-1,5-二脱氧-1-(1,2,3,4-四氢-2,4-二氧嘧啶-1-基)-β-D-别呋喃酰基]-3-亚乙基-2-氮杂环丁烷甲酸.
Category: Organic Chemicals.
Independent reference data for (2S,E)-1-[5-[(2-Amino-5-O-aminocarbonyl-2-deoxy-L-xylonoyl)amino]-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxopyrimidin-1-yl)-β-D-allofuranulonoyl]-3-ethylidene-2-azetidinecarboxylic acid (CAS 22886-46-0), compiled from public chemistry databases.
| CAS 号 | 22886-46-0 |
|---|---|
| PubChem CID | 185517 |
| 分子式 | C22H30N6O13 |
| IUPAC 名称 | 1-[2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]-3-ethenylazetidine-2-carboxylic acid |
| Molecular Weight | 586.5 |
|---|---|
| XLogP3 | -7.5 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 12 |
| Exact Mass | 586.18708503 |
| Monoisotopic Mass | 586.18708503 |
| Topological Polar Surface Area | 305 |
| Heavy Atom Count | 41 |
(2S,E)-1-[5-[(2-氨基-5-O-氨基羰基-2-脱氧-L-木糖酰基)氨基]-1,5-二脱氧-1-(1,2,3,4-四氢-2,4-二氧嘧啶-1-基)-β-D-别呋喃酰基]-3-亚乙基-2-氮杂环丁烷甲酸 · CAS 22886-46-0 · C22H30N6O13.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.