Ardisiacrispin B
TL;DR: Ardisiacrispin B (CAS 126724-98-9) is a chemical compound with molecular formula C53H86O22 and molecular weight 1074.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,8R,10S,13R,14R,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde
Also Known As: Ardisiacrispin B, KST-1A0970, (2R,4S,5R,8R,10S,13R,14R,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde, (3, A,13xi,16
| Molecular Formula | C53H86O22 |
|---|---|
| Molecular Weight | 1074.56 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 343.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 1074.561 |
| Heavy Atoms | 75 |
| Complexity | 2060.0 |
Chemical Identifiers
| CAS Number | 126724-98-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CO[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CCC89[C@@H]1C[C@@](CCC1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)C=O)C)CO)O)O)O)O)O |
| InChIKey | ZDIHSHLFPFGAGP-GRWMUYEGSA-N |
Product Overview
Ardisiacrispin B (CAS 126724-98-9), with molecular formula C53H86O22 and molecular weight 1074.56 g/mol. IUPAC: (2R,4S,5R,8R,10S,13R,14R,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehyde.
Chemical Property Profile of Ardisiacrispin B
Property Insights of Ardisiacrispin B
The XLogP value of -0.6 indicates that Ardisiacrispin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 343.0 Ų indicates high polarity, suggesting Ardisiacrispin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ardisiacrispin B has 12 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ardisiacrispin B?
The CAS number of Ardisiacrispin B is 126724-98-9.
What is the molecular formula of Ardisiacrispin B?
The molecular formula of Ardisiacrispin B is C53H86O22.
What is the molecular weight of Ardisiacrispin B?
The molecular weight of Ardisiacrispin B is 1074.56 g/mol.
Where can I buy Ardisiacrispin B?
You can request a quote for Ardisiacrispin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ardisiacrispin B?
Yes, KEHONG BIO provides custom synthesis services for Ardisiacrispin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.