(+)-Pinnatoxin A
TL;DR: (+)-Pinnatoxin A (CAS 160759-36-4) is a chemical compound with molecular formula C41H61NO9 and molecular weight 711.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,11R,14S,23R,24S,31S,32S,33S,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-diene-29-carboxylic acid
Also Known As: Pinnatoxin A, ( )-Pinnatoxin A, (+)-Pinnatoxin A, (3R,11R,14S,23R,24S,31S,32S,33S,34R,35R)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]hentetraconta-20,29-diene-29-carboxylic acid, 19H-11,15:15,18:18,22:24,28:24,29-Pentaepoxy-1H-benzo(2,3)cycloheptacos(1,2-b)azepine-31-carboxylic acid, 2,3,4,6,7,8,9,10,11,12,13,14,16,17,20,21,22,23,25,26,27,28,29,29a,32,33-hexacosahydro-14,27-dihydroxy-2,3,14,26-tetramethyl-9-methylene-, (2S,3R,11S,14R,15R,18R,22R,24R,26R,27R,28R,29S,29aS,33aR)-
| Molecular Formula | C41H61NO9 |
|---|---|
| Molecular Weight | 711.43 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 711.43463 |
| Heavy Atoms | 51 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 160759-36-4 |
|---|---|
| SMILES | C[C@H]1CC23CCC(=C[C@@H]2[C@H]4[C@@H]5[C@@H]([C@@H](CC(O4)(O5)C[C@H]6CCCC7(O6)CCC8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O |
| InChIKey | ZYFHPTPXLHNGQK-PBTOPYJBSA-N |
Product Overview
(+)-Pinnatoxin A (CAS 160759-36-4), with molecular formula C41H61NO9 and molecular weight 711.43 g/mol. IUPAC: (3R,11R,14S,23R,24S,31S,32S,33S,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-diene-29-carboxylic acid.
Chemical Property Profile of (+)-Pinnatoxin A
Property Insights of (+)-Pinnatoxin A
The XLogP value of 4.4 indicates that (+)-Pinnatoxin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Pinnatoxin A. Following Lipinski's Rule of Five, (+)-Pinnatoxin A 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 (+)-Pinnatoxin A?
The CAS number of (+)-Pinnatoxin A is 160759-36-4.
What is the molecular formula of (+)-Pinnatoxin A?
The molecular formula of (+)-Pinnatoxin A is C41H61NO9.
What is the molecular weight of (+)-Pinnatoxin A?
The molecular weight of (+)-Pinnatoxin A is 711.43 g/mol.
Where can I buy (+)-Pinnatoxin A?
You can request a quote for (+)-Pinnatoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Pinnatoxin A?
Yes, KEHONG BIO provides custom synthesis services for (+)-Pinnatoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.