Physodine B
TL;DR: Physodine B (CAS 122051-34-7) is a chemical compound with molecular formula C41H58O18 and molecular weight 838.3623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[3-acetyloxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
Also Known As: Physodine B, [3-[3-acetyloxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate, 3-[(2-O-Acetyl-6-deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-2-(acetyloxy)-5,14-dihydroxy-19-oxobufa-20,22-dienolide
Technical Specifications
| Molecular Formula | C41H58O18 |
| Molecular Weight | 838.3623 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 264.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Exact Mass | 838.3623 Da |
| Heavy Atoms | 59 |
| Complexity | 1690.0 |
| SMILES | CC1C(C(C(C(O1)OC2CC3(CCC4C(C3(CC2OC(=O)C)C=O)CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)O)OC(=O)C)OC)OC7C(C(C(C(O7)CO)O)O)O |
| InChIKey | VQVTXWYVJLGLMY-UHFFFAOYSA-N |
Chemical Property Profile of Physodine B
Property Insights of Physodine B
The XLogP value of -0.3 indicates that Physodine B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 264.0 Ų indicates high polarity, suggesting Physodine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Physodine B has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Physodine B?
The CAS number of Physodine B is 122051-34-7.
What is the molecular formula of Physodine B?
The molecular formula of Physodine B is C41H58O18.
What is the molecular weight of Physodine B?
The molecular weight of Physodine B is 838.3623 g/mol.
Where can I buy Physodine B?
You can request a quote for Physodine B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Physodine B?
Yes, CoreyChem provides custom synthesis services for Physodine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.