6α-[(1-Oxohexyl)amino]penicillanic acid (CAS 4493-18-9) — formula C14H22N2O4S, molecular weight 314.40; category organic chemicals.
| CAS Number | 4493-18-9 |
|---|---|
| Molecular Formula | C14H22N2O4S |
| Molecular Weight | 314.40 |
| LogP | 2.37 |
| Category | Organic Chemicals |
6α-[(1-Oxohexyl)amino]penicillanic acid is a carbon-based organic compound with CAS registry number 4493-18-9 and molecular formula C14H22N2O4S (molecular weight 314.40), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4493-18-9
Its molecular formula C14H22N2O4S comprises 14 C, 22 H, 2 N, 4 O, 1 S atoms.
Also known as: 6α-[(1-Oxohexyl)amino]penicillanic acid · (2S,5R,6R)-6-己酰氨基-3,3-二甲基-7-氧代-4-硫-1-氮杂双环[3.2.0]庚烷-2-羧酸
Category: organic chemicals
The CAS registry number of 6α-[(1-Oxohexyl)amino]penicillanic acid is 4493-18-9.
Molecular formula C14H22N2O4S, molecular weight 314.40.
It is also registered under: 6α-[(1-Oxohexyl)amino]penicillanic acid, (2S,5R,6R)-6-己酰氨基-3,3-二甲基-7-氧代-4-硫-1-氮杂双环[3.2.0]庚烷-2-羧酸.
Category: Organic Chemicals.
Independent reference data for 6α-[(1-Oxohexyl)amino]penicillanic acid (CAS 4493-18-9), compiled from public chemistry databases.
| CAS 号 | 4493-18-9 |
|---|---|
| PubChem CID | 107556 |
| 分子式 | C14H22N2O4S |
| IUPAC 名称 | (2S,5R,6R)-6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| UNII（FDA） | 2891Q2PTF9 |
| Molecular Weight | 314.40 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 314.13002836 |
| Monoisotopic Mass | 314.13002836 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 21 |
| LogP | 2.37 |
|---|
Penicillin DF; 4493-18-9; Dihydropenicillin F; Hexanoylpenicillin; 2891Q2PTF9; DTXSID80196339; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxohexyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((1-oxohexyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; RefChem:1050019; DTXCID40118830; Amylpenicillin; (2S,5R,6R)-6-(hexanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-HEXANAMIDO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID; BRN 0039499; UNII-2891Q2PTF9; Penicillin F, dihydro-
(2S,5R,6R)-6-己酰氨基-3,3-二甲基-7-氧代-4-硫-1-氮杂双环[3.2.0]庚烷-2-羧酸 · CAS 4493-18-9 · C14H22N2O4S. UNII 2891Q2PTF9. LogP: 2.37.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (2S,5R,6R)-6-己酰氨基-3,3-二甲基-7-氧代-4-硫-1-氮杂双环[3.2.0]庚烷-2-羧酸