Lemmatoxin C
TL;DR: Lemmatoxin C (CAS 52230-11-2) is a chemical compound with molecular formula C48H78O17 and molecular weight 926.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-10-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Lemmatoxin C, (6aS)-10-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (6aS)-10-(((2R,3R,4S,5S,6R)-3-(((2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid, (5xi,8xi,9xi,10xi,17xi,18xi)-3-{[6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-L-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid
| Molecular Formula | C48H78O17 |
|---|---|
| Molecular Weight | 926.52 g/mol |
| LogP | 1.7338 |
| Topological Polar Surface Area | 274.75 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 926.5239 |
| Heavy Atoms | 65 |
| Complexity | 1777.335 |
Chemical Identifiers
| CAS Number | 52230-11-2 |
|---|---|
| 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]3[C@H]([C@@H]([C@H](O[C@H]3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7[C@]6(CCC8(C7CC(CC8)(C)C)C(=O)O)C)C)C)CO)O)O)CO)O)O)O)O)O |
Product Overview
Lemmatoxin C (CAS 52230-11-2), with molecular formula C48H78O17 and molecular weight 926.52 g/mol. IUPAC: (6aS)-10-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Lemmatoxin C
Property Insights of Lemmatoxin C
The XLogP value of 1.7338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lemmatoxin C. The TPSA of 274.75 Ų indicates high polarity, suggesting Lemmatoxin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lemmatoxin C has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lemmatoxin C?
The CAS number of Lemmatoxin C is 52230-11-2.
What is the molecular formula of Lemmatoxin C?
The molecular formula of Lemmatoxin C is C48H78O17.
What is the molecular weight of Lemmatoxin C?
The molecular weight of Lemmatoxin C is 926.52 g/mol.
Where can I buy Lemmatoxin C?
You can request a quote for Lemmatoxin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lemmatoxin C?
Yes, KEHONG BIO provides custom synthesis services for Lemmatoxin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.