Peloruside A
TL;DR: Peloruside A (CAS 257939-61-0) is a chemical compound with molecular formula C27H48O11 and molecular weight 548.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,4R,7R,9R,11R,13S,14S,15S)-4,11,13,14-tetrahydroxy-7-[(Z,4S)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one
Also Known As: Peloruside A, Peluroside A, (-)-peloruside A, (1S,3S,4R,7R,9R,11R,13S,14S,15S)-4,11,13,14-tetrahydroxy-7-[(Z,4S)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one, (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-((Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl)-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo(11.3.1)heptadecan-5-one
| Molecular Formula | C27H48O11 |
|---|---|
| Molecular Weight | 548.32 g/mol |
| LogP | 0.6783 |
| Topological Polar Surface Area | 164.37 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.31964 |
| Heavy Atoms | 38 |
| Complexity | 782.98553 |
Chemical Identifiers
| CAS Number | 257939-61-0 |
|---|---|
| SMILES | CC[C@H](CO)/C=C(/C)\[C@H]1C[C@@H](C[C@H](C([C@]2([C@H]([C@H](C[C@H](O2)C[C@@H]([C@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC |
Product Overview
Peloruside A (CAS 257939-61-0), with molecular formula C27H48O11 and molecular weight 548.32 g/mol. IUPAC: (1S,3S,4R,7R,9R,11R,13S,14S,15S)-4,11,13,14-tetrahydroxy-7-[(Z,4S)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one.
Chemical Property Profile of Peloruside A
Property Insights of Peloruside A
The XLogP value of 0.6783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Peloruside A. The TPSA of 164.37 Ų indicates high polarity, suggesting Peloruside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peloruside A has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peloruside A?
The CAS number of Peloruside A is 257939-61-0.
What is the molecular formula of Peloruside A?
The molecular formula of Peloruside A is C27H48O11.
What is the molecular weight of Peloruside A?
The molecular weight of Peloruside A is 548.32 g/mol.
Where can I buy Peloruside A?
You can request a quote for Peloruside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peloruside A?
Yes, KEHONG BIO provides custom synthesis services for Peloruside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.