Petasinoside
TL;DR: Petasinoside (CAS 70474-34-9) is a chemical compound with molecular formula C28H37NO9 and molecular weight 531.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,8S)-1-[[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (E)-2-methylbut-2-enoate
Also Known As: Petasinoside, Glutathione sulfinanilide, [(1S,2R,8S)-1-[[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (E)-2-methylbut-2-enoate, 2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-1-((((2E)-3-(4-((6-deoxy-alpha-L-mannopyranosyl)oxy)phenyl)-1-oxo-2-propenyl)oxy)methyl)hexahydro-1H-pyrrolizin-2-yl ester, (2Z)-, 1-((((2E)-3-(4-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)phenyl)prop-2-enoyl)oxy)methyl)-hexahydro-1H-pyrrolizin-2-yl (2E)-2-methylbut-2-enoic acid
| Molecular Formula | C28H37NO9 |
|---|---|
| Molecular Weight | 531.25 g/mol |
| LogP | 1.4215 |
| Topological Polar Surface Area | 134.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.2468 |
| Heavy Atoms | 38 |
| Complexity | 1039.2648 |
Chemical Identifiers
| CAS Number | 70474-34-9 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1COC(=O)/C=C/C3=CC=C(C=C3)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O |
Product Overview
Petasinoside (CAS 70474-34-9), with molecular formula C28H37NO9 and molecular weight 531.25 g/mol. IUPAC: [(1S,2R,8S)-1-[[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Petasinoside
Property Insights of Petasinoside
The XLogP value of 1.4215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Petasinoside. The TPSA of 134.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Petasinoside. Following Lipinski's Rule of Five, Petasinoside has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Petasinoside?
The CAS number of Petasinoside is 70474-34-9.
What is the molecular formula of Petasinoside?
The molecular formula of Petasinoside is C28H37NO9.
What is the molecular weight of Petasinoside?
The molecular weight of Petasinoside is 531.25 g/mol.
Where can I buy Petasinoside?
You can request a quote for Petasinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Petasinoside?
Yes, KEHONG BIO provides custom synthesis services for Petasinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.