Phtheirospermoside
TL;DR: Phtheirospermoside (CAS 113953-02-9) is a chemical compound with molecular formula C30H38O15 and molecular weight 638.22107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Also Known As: Phtheirospermoside, [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3-hydroxy-4-methoxyphenyl)-2-propenoate), (E)-
Technical Specifications
| Molecular Formula | C30H38O15 |
| Molecular Weight | 638.22107 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 638.22107 Da |
| Heavy Atoms | 45 |
| Complexity | 983.0 |
| SMILES | CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC(=C(C=C2)OC)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O |
| InChIKey | HMBUDSFBGGISFT-VKXUQZJSSA-N |
Chemical Property Profile of Phtheirospermoside
Property Insights of Phtheirospermoside
The XLogP value of -0.5 indicates that Phtheirospermoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting Phtheirospermoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phtheirospermoside has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phtheirospermoside?
The CAS number of Phtheirospermoside is 113953-02-9.
What is the molecular formula of Phtheirospermoside?
The molecular formula of Phtheirospermoside is C30H38O15.
What is the molecular weight of Phtheirospermoside?
The molecular weight of Phtheirospermoside is 638.22107 g/mol.
Where can I buy Phtheirospermoside?
You can request a quote for Phtheirospermoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phtheirospermoside?
Yes, CoreyChem provides custom synthesis services for Phtheirospermoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.