Primulic acid
TL;DR: Primulic acid (CAS 53078-36-7) is a chemical compound with molecular formula C54H88O23 and molecular weight 1104.5717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Primulic acid, Primulasaure, Primulasaure [German], KST-1A5592, 4-18-00-05150 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1104.5717 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 374.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 1104.5717 Da |
| Heavy Atoms | 77 |
| Complexity | 2130.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC([C@@]7([C@H]6CC(CC7)(C)C)CO)O)C)C)C)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)O)O)O)O)O |
| InChIKey | LDPKDIVFHXKSCE-GVIDDALXSA-N |
Chemical Property Profile of Primulic acid
Property Insights of Primulic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Primulic acid. The TPSA of 374.0 Ų indicates high polarity, suggesting Primulic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Primulic acid has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Primulic acid?
The CAS number of Primulic acid is 53078-36-7.
What is the molecular formula of Primulic acid?
The molecular formula of Primulic acid is C54H88O23.
What is the molecular weight of Primulic acid?
The molecular weight of Primulic acid is 1104.5717 g/mol.
Where can I buy Primulic acid?
You can request a quote for Primulic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Primulic acid?
Yes, CoreyChem provides custom synthesis services for Primulic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.