beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
TL;DR: beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- (CAS 82793-02-0) is a chemical compound with molecular formula C42H68O13 and molecular weight 780.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-, 22-Hydroxyolean-12-en-3-yl 2-O-hexopyranosylhexopyranosiduronic acid, (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid, (5xi,9xi)-22alpha-Hydroxy-18alpha-olean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid, (5xi,9xi,18alpha,22alpha)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
| Molecular Formula | C42H68O13 |
|---|---|
| Molecular Weight | 780.47 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 780.466 |
| Heavy Atoms | 55 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 82793-02-0 |
|---|---|
| SMILES | C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C |
| InChIKey | PPWWANBMWAQXLQ-FZARMGOESA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- (CAS 82793-02-0), with molecular formula C42H68O13 and molecular weight 780.47 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aR,9S,12aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
Property Insights of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
The XLogP value of 4.7 indicates that beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- 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 beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-?
The CAS number of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- is 82793-02-0.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-?
The molecular formula of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- is C42H68O13.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-?
The molecular weight of beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- is 780.47 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-?
You can request a quote for beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.