CAS Number60113-83-9
Synonyms1-O-Valproyl--D-glucopyranuronic Acid; Valproic acid glucuronide; Dipropylacetate Glucuronide; VPA-G; 1-O-Valproyl-b-D-glucopyranuronic Acid; Valproic Acid Glucuronid; Valproic Acid b-D-Glucuronide; Valproate Glucuronide; 1-(2-Propylpentanoate)-D-Glucopyranuronic Acid; Valproic Acid-D-Glucuronide
Molecular FormulaC14H24O8
Molecular Weight382.40
Density1.33g/cm3
Boiling Point491.9ºC at 760 mmHg
Melting Point118-120ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 60113-83-9 |
| Catalog No. | 2A-1190507 |
| Chinese Name | 丙戊酸β-D-葡糖醛酸 |
| Synonyms | 1-O-Valproyl--D-glucopyranuronic Acid; Valproic acid glucuronide; Dipropylacetate Glucuronide; VPA-G; 1-O-Valproyl-b-D-glucopyranuronic Acid; Valproic Acid Glucuronid; Valproic Acid b-D-Glucuronide; Valproate Glucuronide; 1-(2-Propylpentanoate)-D-Glucopyranuronic Acid; Valproic Acid-D-Glucuronide |
| Molecular Formula | C14H24O8 |
| Molecular Weight | 382.40 |
| Density | 1.33g/cm3 |
| Boiling Point | 491.9ºC at 760 mmHg |
| Melting Point | 118-120ºC |
| PubChem ID | 329761208 |
| MDL Number | MFCD00871942 |
| SMILES | CCCC(CCC)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
| InChI | InChI=1S/C14H24O8/c1-3-5-7(6-4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1 |
| InChI Key | XXKSYIHWRBBHIC-JVWRJRKNSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Transport Info | Product name: Valproic acid β-D-glucuronic acid |
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