Glycyrrhizic acid(CAS 1405-86-3):分子式 C42H62O16、分子量 822.40 g/mol;类别 有机化学品。
Glycyrrhizic acid 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 1405-86-3,分子式 C42H62O16(分子量 822.40 g/mol),归属于有机化学品大类化工原料。
登记 CAS 号:1405-86-3
其分子式 C42H62O16 由 42 个碳、62 个氢、16 个氧 组成。
别名/同义词:Glycyrrhizic acid · Glycyrrhizin
所属分类:有机化学品
Glycyrrhizic acid 的 CAS 登记号为 1405-86-3。
分子式 C42H62O16,分子量 822.40 g/mol。
别名/同义词:Glycyrrhizic acid、Glycyrrhizin。
所属分类:Organic Chemicals。
Glycyrrhizic acid(CAS 1405-86-3)的公开数据库记录,列此仅供独立核对。
| GHS notification summary | 100% (93 / 93) |
|---|
This chemical does not meet GHS hazard criteria for 100% (93 of 93) of all reports.
Reported as not meeting GHS hazard criteria by 93 of 93 companies. For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents NATURALLY_OCCURRING_TOXICANT: Food Contaminant TRS 928-JECFA 63/121 FAS 54-JECFA 63/561 CIR / INCI: Cosmetic ingredients (Glycyrrhizic Acid) -> CIR (Cosmetic Ingredient Review) |
|---|---|
| GHS notification summary | 100% (93 / 93) |
| 熔点 | 220 |
|---|---|
| 熔点 | 220 °C decomposes |
| LogP | 2.8 |
| LogP | log Kow = 2.80 |
| CAS Registry Number | 1405-86-3 |
|---|---|
| PubChem CID | 14982 |
| 分子式 | C42H62O16 |
| 分子量 | 822.40 g/mol |
| IUPAC 名称 | (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChIKey | LPLVUJXQOOQHMX-QWBHMCJMSA-N |
| UNII(FDA) | 6FO62043WK |
| ChEBI 编号 | CHEBI:15939 |
| ATC code (WHO) | A05BA08 |
Glycyrrhizic acid; glycyrrhizin; 1405-86-3; Glycyron; Glycyrrhizinic acid; potenlini; beta-Glycyrrhizin; Glycyrrhetinic acid glycoside; Glizigen; 18beta-Glycyrrhizic acid; glycyrrhizate; 18-beta-Glycyrrhizic acid; Glycyrrizin; Rizinsan K2 A2 (free acid); HSDB 496; NSC-167409
| 分子量 | 822.9 |
|---|---|
| XLogP3 | 3.7 |
| 氢键供体数 | 8 |
| 氢键受体数 | 16 |
| 可旋转键数 | 7 |
| 精确质量 | 822.40378589 |
| 单同位素质量 | 822.40378589 |
| 拓扑极性表面积 | 267 |
| 重原子数 | 58 |
| 形式电荷 | 0 |
Glycyrrhizic acid is identified by CAS 1405-86-3, molecular formula C42H62O16 and molecular weight 822.40 g/mol. UNII 6FO62043WK; ChEBI 15939; InChIKey LPLVUJXQOOQHMX-QWBHMCJMSA-N. 熔点: 220; 熔点: 220 °C decomposes; LogP: 2.8.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。