pentagalacturonic acid (CAS 40386-94-5) — formula C30H42O31, molecular weight 898.6; category organic chemicals.
pentagalacturonic acid is a carbon-based organic compound with CAS registry number 40386-94-5 and molecular formula C30H42O31 (molecular weight 898.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40386-94-5
Its molecular formula C30H42O31 comprises 30 C, 42 H, 31 O atoms.
Also known as: pentagalacturonic acid
Category: organic chemicals
The CAS registry number of pentagalacturonic acid is 40386-94-5.
Molecular formula C30H42O31, molecular weight 898.6.
It is also registered under: pentagalacturonic acid.
Category: Organic Chemicals.
Public-database records for pentagalacturonic acid (CAS 40386-94-5), reproduced here for independent cross-checking.
| CAS Registry Number | 40386-94-5 |
|---|---|
| PubChem CID | 178870836 |
| 分子式 | C30H42O31 |
| IUPAC 名称 | (2R,3S,4R,5S,6R)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2R,3S,4S,5S,6R)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| 分子量 | 898.6 |
|---|---|
| XLogP3 | -9.9 |
| 氢键供体数 | 17 |
| 氢键受体数 | 31 |
| 可旋转键数 | 13 |
| 精确质量 | 898.17100454 |
| 单同位素质量 | 898.17100454 |
| 拓扑极性表面积 | 512 |
| 重原子数 | 61 |
| 形式电荷 | 0 |
pentagalacturonic acid · CAS 40386-94-5 · C30H42O31.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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