3-deazaneplanocin (CAS 102052-95-9) — formula C12H14N4O3, molecular weight 262.26; category organic chemicals.
| CAS Number | 102052-95-9 |
|---|---|
| Molecular Formula | C12H14N4O3 |
| Molecular Weight | 262.26 |
| LogP | -1.7 |
| Category | Organic Chemicals |
3-deazaneplanocin is a carbon-based organic compound with CAS registry number 102052-95-9 and molecular formula C12H14N4O3 (molecular weight 262.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 102052-95-9
Its molecular formula C12H14N4O3 comprises 12 C, 14 H, 4 N, 3 O atoms.
Also known as: 3-deazaneplanocin · 3-脱氮平霉素
Category: organic chemicals
The CAS registry number of 3-deazaneplanocin is 102052-95-9.
Molecular formula C12H14N4O3, molecular weight 262.26.
It is also registered under: 3-deazaneplanocin, 3-脱氮平霉素.
Category: Organic Chemicals.
Independent reference data for 3-deazaneplanocin (CAS 102052-95-9), compiled from public chemistry databases.
| CAS Registry Number | 102052-95-9 |
|---|---|
| PubChem CID | 73087 |
| Molecular formula | C12H14N4O3 |
| IUPAC name | (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol |
| UNII (FDA) | 544SH4020S |
| Molecular Weight | 262.26 |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 262.10659032 |
| Monoisotopic Mass | 262.10659032 |
| Topological Polar Surface Area | 117 |
| Heavy Atom Count | 19 |
3-Deazaneplanocin; 102052-95-9; 3-Deaza-neplanocin; 544SH4020S; DTXSID30144562; RefChem:93619; DTXCID5067053; (1s,2r,5r)-5-(4-amino-1h-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol; 3-Deazaneplanocin-A; CHEMBL154745; AKOS005146283; (1S,2R,5R)-5-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol; CS-0357; 3-Deazaneplanocin,DZNep; 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
3-deazaneplanocin · CAS 102052-95-9 · C12H14N4O3. UNII 544SH4020S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-脱氮平霉素