Arganine C
TL;DR: Arganine C (CAS 132023-46-2) is a chemical compound with molecular formula C60H98O28 and molecular weight 1266.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylate
Also Known As: Arganine C, [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylate, [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylate
| Molecular Formula | C60H98O28 |
|---|---|
| Molecular Weight | 1266.62 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 453.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 13 |
| Exact Mass | 1266.6245 |
| Heavy Atoms | 88 |
| Complexity | 2530.0 |
Chemical Identifiers
| CAS Number | 132023-46-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H](CO[C@H]4OC(=O)[C@]56CCC(C[C@]5(C7=CC[C@@]8([C@]9(C[C@@H]([C@@H]([C@@]([C@@H]9[C@@H](C[C@]8([C@@]7(C[C@H]6O)C)C)O)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)(C)C)O)O)C)O)O)O)O |
| InChIKey | KVJXYLUTJTYBGU-QVXDQLQBSA-N |
Product Overview
Arganine C (CAS 132023-46-2), with molecular formula C60H98O28 and molecular weight 1266.62 g/mol. IUPAC: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aS,14bS)-5,8,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6a,6b,9,12a,14b-octamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,7,8,8a,10,11,12,13-dodecahydropicene-4a-carboxylate.
Chemical Property Profile of Arganine C
Property Insights of Arganine C
The XLogP value of -2.8 indicates that Arganine C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 453.0 Ų indicates high polarity, suggesting Arganine C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arganine C has 17 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arganine C?
The CAS number of Arganine C is 132023-46-2.
What is the molecular formula of Arganine C?
The molecular formula of Arganine C is C60H98O28.
What is the molecular weight of Arganine C?
The molecular weight of Arganine C is 1266.62 g/mol.
Where can I buy Arganine C?
You can request a quote for Arganine C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arganine C?
Yes, KEHONG BIO provides custom synthesis services for Arganine C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.