3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE (CAS 1852-49-9) — formula C27H44O8, molecular weight 496.6; category organic chemicals.
| CAS Number | 1852-49-9 |
|---|---|
| Molecular Formula | C27H44O8 |
| Molecular Weight | 496.6 |
| LogP | 3.8 |
| Category | Organic Chemicals |
3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE is a carbon-based organic compound with CAS registry number 1852-49-9 and molecular formula C27H44O8 (molecular weight 496.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1852-49-9
Its molecular formula C27H44O8 comprises 27 C, 44 H, 8 O atoms.
Also known as: 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE · 孕二醇-3α-葡萄糖醛酸
Category: organic chemicals
The CAS registry number of 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE is 1852-49-9.
Molecular formula C27H44O8, molecular weight 496.6.
It is also registered under: 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE, 孕二醇-3α-葡萄糖醛酸.
Category: Organic Chemicals.
Independent reference data for 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE (CAS 1852-49-9), compiled from public chemistry databases.
| CAS 号 | 1852-49-9 |
|---|---|
| PubChem CID | 123796 |
| 分子式 | C27H44O8 |
| IUPAC 名称 | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid |
| UNII（FDA） | 488GK5DQ5X |
| Molecular Weight | 496.6 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 496.30361836 |
| Monoisotopic Mass | 496.30361836 |
| Topological Polar Surface Area | 137 |
| Heavy Atom Count | 35 |
pregnanediol-3 alpha-glucuronide; RefChem:929959; (3 alpha,5 beta,20S)-20-hydroxypregnan-3-yl beta-D-glucopyranosiduronic acid; Pregnanediol-3-glucuronide; 1852-49-9; Pregnanediol 3-Glucuronide; Pregnanediol glucuronide; Pregnanediol-3alpha-glucuronide; Pregnanediol 3alpha-monoglucuronide; 5beta-Pregnane-3alpha,20alpha-diol-3alpha-glucuronide; 488GK5DQ5X; (3alpha,5beta,20S)-20-Hydroxypregnan-3-yl beta-D-glucopyranosiduronic acid; Pregnanediol 3a-O-b-D-glucuronide; beta-D-Glucopyranosiduronic acid, (3alpha,5beta,20S)-20-hydroxypregnan-3-yl; ST 21:0;O2;GlcA; Pregnanediol 3-O-glucuronide
孕二醇-3α-葡萄糖醛酸 · CAS 1852-49-9 · C27H44O8. UNII 488GK5DQ5X.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 孕二醇-3α-葡萄糖醛酸