Holothurin A, desulfo-
TL;DR: Holothurin A, desulfo- (CAS 11060-73-4) is a chemical compound with molecular formula C54H86O24 and molecular weight 1118.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-[3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-(5,5-dimethyloxolan-2-yl)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
Also Known As: Desulfated holothurin A, Holothurin A, desulfo-, RefChem:1086703
| Molecular Formula | C54H86O24 |
|---|---|
| Molecular Weight | 1118.55 g/mol |
| LogP | -2.091 |
| Topological Polar Surface Area | 361.36 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 12 |
| Exact Mass | 1118.5509 |
| Heavy Atoms | 78 |
| Complexity | 2220.104 |
Chemical Identifiers
| CAS Number | 11060-73-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5C4=CC(C67C5(CCC6(C(OC7=O)(C)C8CCC(O8)(C)C)O)C)O)C)O)O)O)O)OC9C(C(C(C(O9)CO)O)OC1C(C(C(C(O1)CO)O)OC)O)O |
Product Overview
Holothurin A, desulfo- (CAS 11060-73-4), with molecular formula C54H86O24 and molecular weight 1118.55 g/mol. IUPAC: 16-[3-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6-(5,5-dimethyloxolan-2-yl)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one.
Chemical Property Profile of Holothurin A, desulfo-
Property Insights of Holothurin A, desulfo-
The XLogP value of -2.091 indicates that Holothurin A, desulfo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 361.36 Ų indicates high polarity, suggesting Holothurin A, desulfo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Holothurin A, desulfo- has 12 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Holothurin A, desulfo-?
The CAS number of Holothurin A, desulfo- is 11060-73-4.
What is the molecular formula of Holothurin A, desulfo-?
The molecular formula of Holothurin A, desulfo- is C54H86O24.
What is the molecular weight of Holothurin A, desulfo-?
The molecular weight of Holothurin A, desulfo- is 1118.55 g/mol.
Where can I buy Holothurin A, desulfo-?
You can request a quote for Holothurin A, desulfo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Holothurin A, desulfo-?
Yes, KEHONG BIO provides custom synthesis services for Holothurin A, desulfo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.