Holotoxin A
TL;DR: Holotoxin A (CAS 55762-47-5) is a chemical compound with molecular formula C67H106O32 and molecular weight 1422.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S,6S,13S)-16-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-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-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione
Also Known As: Holotoxin A
| Molecular Formula | C67H106O32 |
|---|---|
| Molecular Weight | 1422.67 g/mol |
| LogP | -3.9064 |
| Topological Polar Surface Area | 476.04 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 22 |
| Exact Mass | 1422.6667 |
| Heavy Atoms | 99 |
| Complexity | 2836.549 |
Chemical Identifiers
| CAS Number | 55762-47-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2OC3CC[C@]4(C(C3(C)C)CCC5C4=CCC67[C@]5(CC(=O)[C@@H]6[C@](OC7=O)(C)CCCC(=C)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O |
Product Overview
Holotoxin A (CAS 55762-47-5), with molecular formula C67H106O32 and molecular weight 1422.67 g/mol. IUPAC: (2S,5S,6S,13S)-16-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-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-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-enyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione.
Chemical Property Profile of Holotoxin A
Property Insights of Holotoxin A
The XLogP value of -3.9064 indicates that Holotoxin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 476.04 Ų indicates high polarity, suggesting Holotoxin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Holotoxin A has 15 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Holotoxin A?
The CAS number of Holotoxin A is 55762-47-5.
What is the molecular formula of Holotoxin A?
The molecular formula of Holotoxin A is C67H106O32.
What is the molecular weight of Holotoxin A?
The molecular weight of Holotoxin A is 1422.67 g/mol.
Where can I buy Holotoxin A?
You can request a quote for Holotoxin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Holotoxin A?
Yes, KEHONG BIO provides custom synthesis services for Holotoxin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.