benzo(a)pyrene-3-O-glucuronide (CAS 60262-81-9) — formula C26H20O7, molecular weight 444.4; category organic chemicals.
| CAS Number | 60262-81-9 |
|---|---|
| Molecular Formula | C26H20O7 |
| Molecular Weight | 444.4 |
| LogP | 4.1 |
| Category | Organic Chemicals |
benzo(a)pyrene-3-O-glucuronide is a carbon-based organic compound with CAS registry number 60262-81-9 and molecular formula C26H20O7 (molecular weight 444.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 60262-81-9
Its molecular formula C26H20O7 comprises 26 C, 20 H, 7 O atoms.
Also known as: benzo(a)pyrene-3-O-glucuronide · 3-羟基-苯并芘O-beta-D-葡糖醛酸
Category: organic chemicals
The CAS registry number of benzo(a)pyrene-3-O-glucuronide is 60262-81-9.
Molecular formula C26H20O7, molecular weight 444.4.
It is also registered under: benzo(a)pyrene-3-O-glucuronide, 3-羟基-苯并芘O-beta-D-葡糖醛酸.
Category: Organic Chemicals.
Independent reference data for benzo(a)pyrene-3-O-glucuronide (CAS 60262-81-9), compiled from public chemistry databases.
| CAS 号 | 60262-81-9 |
|---|---|
| PubChem CID | 3035010 |
| 分子式 | C26H20O7 |
| IUPAC 名称 | (2S,3S,4S,5R,6S)-6-benzo[a]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Molecular Weight | 444.4 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 444.12090297 |
| Monoisotopic Mass | 444.12090297 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 33 |
60262-81-9; Benzo(a)pyrene-3-O-glucuronide; Bp-3-g; 3-Benzo(a)pyrenyl beta-glucopyranosiduronic acid; DTXSID60209012; Benzo(a)pyren-3-yl beta-D-glucopyranosiduronic acid; beta-D-Glucopyranosiduronic acid, benzo(a)pyren-3-yl; RefChem:118173; DTXCID80131503; 3-Hydroxy Benzopyrene O-b-D-glucuronide; 3-Hydroxy Benzopyrene O-beta-D-glucuronide; (2S,3S,4S,5R,6S)-6-benzo[a]pyren-3-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid; Benzo[pqr]tetraphen-3-yl beta-D-glucopyranosiduronic acid
3-羟基-苯并芘O-beta-D-葡糖醛酸 · CAS 60262-81-9 · C26H20O7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-羟基-苯并芘O-beta-D-葡糖醛酸