![13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid structure](/static/products/5361/53616-15-2.webp)
13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
TL;DR: 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid (CAS 53616-15-2) is a chemical compound with molecular formula C32H50O13 and molecular weight 642.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5R,9R,10S,13R)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: Steviolbioside, I07-0224, 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid, 13-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid, 13-{[2-o-(
| Molecular Formula | C32H50O13 |
|---|---|
| Molecular Weight | 642.33 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 642.32513 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 53616-15-2 |
|---|---|
| SMILES | C[C@]12CCC[C@@]([C@@H]1CC[C@@]34[C@@H]2CC[C@@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O |
| InChIKey | OMHUCGDTACNQEX-VKXXIMTPSA-N |
Product Overview
13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid (CAS 53616-15-2), with molecular formula C32H50O13 and molecular weight 642.33 g/mol. IUPAC: (1S,4R,5R,9R,10S,13R)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
Property Insights of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid. The TPSA of 216.0 Ų indicates high polarity, suggesting 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid?
The CAS number of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid is 53616-15-2.
What is the molecular formula of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid?
The molecular formula of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid is C32H50O13.
What is the molecular weight of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid?
The molecular weight of 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid is 642.33 g/mol.
Where can I buy 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid?
You can request a quote for 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 13-[(2-O-Hexopyranosylhexopyranosyl)oxy]kaur-16-en-18-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.