3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid
TL;DR: 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid (CAS 122881-68-9) is a chemical compound with molecular formula C44H71NO13 and molecular weight 821.49255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[3-acetamido-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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: 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid, 10-[3-acetamido-4,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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, 3-({2-Deoxy-6-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)olean-12-en-28-oic acid
Technical Specifications
| Molecular Formula | C44H71NO13 |
| Molecular Weight | 821.49255 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 821.49255 Da |
| Heavy Atoms | 58 |
| Complexity | 1600.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)COC7C(C(C(C(O7)CO)O)O)O)O)O |
| InChIKey | DGJYXRGKFXEUEM-UHFFFAOYSA-N |
Chemical Property Profile of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid
Property Insights of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid
The XLogP value of 3.7 indicates that 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.0 Ų indicates high polarity, suggesting 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid?
The CAS number of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid is 122881-68-9.
What is the molecular formula of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid?
The molecular formula of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid is C44H71NO13.
What is the molecular weight of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid?
The molecular weight of 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid is 821.49255 g/mol.
Where can I buy 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid?
You can request a quote for 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid?
Yes, CoreyChem provides custom synthesis services for 3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.